Name
stringlengths 14
548
| Synonym
stringlengths 14
790
⌀ | CAS RN
stringlengths 7
12
| Y
class label 2
classes | Detailed Page
stringlengths 57
580
| Evidence
stringlengths 40
2.31k
⌀ | OECD TG 404
stringclasses 1
value | Data Source
stringclasses 34
values | Frequency
int64 1
6
| SMILES
stringlengths 2
255
| SMILES URL
stringlengths 45
101
| SMILES Source
stringclasses 4
values | Canonical SMILES
stringlengths 2
248
| Split
stringclasses 1
value |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
EU_REACH:
1-Ethoxy-2,3-difluoro-4-[trans-4-(trans-4-propylcyclohexyl)-cyclohexyl]-benzene | null | 123560-48-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24097/7/4/2/?documentUUID=d78f8475-f561-4868-b086-04179e005276 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCC)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/11417199 | PubChem | CCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1 | Train |
EU_REACH:
pyrrolidine-2,5-dione | null | 123-56-8 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30168/7/4/2/?documentUUID=c07eafc2-8204-49b3-85e7-7ef86ff93357 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1CC(=O)NC1=O | https://pubchem.ncbi.nlm.nih.gov/compound/11439 | PubChem | O=C1CCC(=O)N1 | Train |
JP_CHRIP:
propionic anhydride
NZ_CCID:
Propionic anhydride | JP_CHRIP:
Methylacetic anhydride
Propanoic acid anhydride
Propanoic anhydride
propionic anhydride | 123-62-6 | 1Cat 1
| JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0184e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/F56DF2CD-F535-4A20-A1B3-6D5965DDA08A | JP_CHRIP:
This substance is reported to cause skin corrosion or burns in humans (HSDB (2005), SITTIG vol. 2). In addition, it is rated as C; R34 in the EU classification (EU-Annex 1 (accessed in November 2008)). Thus, the substance was classified into Category 1. As additional background information, propionic anhydride, in contact with water, produces propionic acid (ICSC (J) (2005)), which is skin corrosive (ICSC (J) (2005)). (Regarding propionic acid, see NITE ID926.)
NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | JP_CHRIP, NZ_CCID | 2 | CCC(=O)OC(=O)CC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.542E | J-GLOBAL | CCC(=O)OC(=O)CC | Train |
JP_CHRIP:
butyraldehyde | JP_CHRIP:
Butyraldehyde
Butanal
Butyl aldehyde
n-butyraldehyde | 123-72-8 | 0NC
| JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0106e.html | JP_CHRIP:
Since it is documented that in two tests using rabbits (both tests are in compliant with OECD TG 404, GLP), the substance was either not irritating or slightly irritating (IUCLID (2000)), it was classified into the "Not classified" category using JIS classification criteria (Category 3 in UN classification). | Provided | JP_CHRIP | 1 | CCCC=O | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.501A | J-GLOBAL | CCCC=O | Train |
JP_CHRIP:
Pyrrolidine
KR_NCIS:
Pyrrolidine
NZ_CCID:
Pyrrolidine | JP_CHRIP:
Azacyclopentane
Pyrrole, tetrahydro
NZ_CCID:
Tetrahydropyrrole | 123-75-1 | 1Cat 1
| JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0074e.html
KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances"
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/F6002A7A-04AB-47FD-A266-AF872A32B1F5 | JP_CHRIP:
Based on a result of "a severe skin irritant" in a skin primary irritation test with rabbits (PATTY (5th, 2001)), a result that the tails of mice dipped into undiluted test substance showed first signs of necrosis after 54 seconds and then it is corrosive to the skin and data of pH 12.9 (100 g/L, 20 degC) (GESTIS (access on Aug. 2009)), the substance was classified into Category 1.
NZ_CCID:
Skin Irritation
SPECIES:
RESULT: Corrosive.
REFERENCE SOURCE: KHB/PD
Eye Irritation
SPECIES:
RESULT: Corrosive
REFERENCE SOURCE: | null | JP_CHRIP, KR_NCIS, NZ_CCID | 3 | C1CCNC1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.931I | J-GLOBAL | C1CCNC1 | Train |
JP_CHRIP:
Hexamethylenediamine
NZ_CCID:
1,6-Hexanediamine | JP_CHRIP:
1,6-Diaminohexane
1,6-Hexanediamine
Hexamethylenediamine
Hexane-1,6-diamine
HMD(A)
NZ_CCID:
1,6-Diamino-n-hexane, 1,6-Diaminohexane, 1,6-Hexamethylenediamine, 1,6-Hexylenediamine, Hexamethylene diamine, Hexamethylenediamine | 124-09-4 | 1Cat 1
| JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/11-mhlw-2015e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/F6435420-3F0B-4A95-8599-0022404C4DDB | JP_CHRIP:
Pain reactions were observed within one minute after application of the test substance containing 85% of this substance to the skin of three rabbits, and erythema with small vesicles was seen immediately after the removal of the patch (after 15 minutes) (SIDS (Access on Oct. 2011)). Furthermore, as a result of the 24-hour application of the powders of the test substance to three rabbits, the irritation score was 8 for all three animals at all observation points (maximum 8), and it was judged as corrosive (USEPA/HPV (2003), corresponding to List 1). From the above, it was classified in Category 1. Besides, it is described that the pH of this substance (100 g/L an aqueous solution) was 12.4 (GESTIS (Access on Sept. 2011)).
NZ_CCID:
Skin Irritation
SPECIES: Rabbit
RESULT: Corrosive
REFERENCE SOURCE: BASF AG Ludwigshafen.
(53) TSCATS, OTS0520783, Doc. I. D. 86-890001277, 07-24-89, Hoechst Celanese Corporationy (54) TSCATS, OTS0534489, Doc. I. D. 86-920000433, 12-03-91, Hoechst Celanese Corporation [IUCLID 2000]
R PHRASE: R 34 [IUCLID 2000]
Eye Irritation
SPECIES: Rabbit
RESULT: Severe opacity of cornea, hemorrhages on conjunctiva and iris
REFERENCE SOURCE: BASF AG Ludwigshafen. (129) TSCATS, OTS0555377, Doc. I. D. 88-920009060, 09-10-92, E.I. Dupont de Nemours and Co [IUCLID 2000] | null | JP_CHRIP, NZ_CCID | 2 | NCCCCCCN | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.055B | J-GLOBAL | NCCCCCCN | Train |
JP_CHRIP:
Decane | null | 124-18-5 | 0NC
| JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0078e.html | JP_CHRIP:
Based on a result of "slightly irritating" in a rabbit test (OECD TG404 (GLP)) (IUCLID (2000)) and "slightly irritating" in another rabbit test (Directive 84/449/EEC, B.4) where the maximum mean score was 1.5 for erythema at 72-hour after application (IUCLID (2000)), the substance was classified as "Not classified" in JIS Classification (correspond to Category 3 in GHS classification). As relevant information, there is a report of "no irritation " in tests with human subjects where a 30% solution was applied to skin for 24-hour (HSDB (2003)). | Provided | JP_CHRIP | 1 | CCCCCCCCCC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.505D | J-GLOBAL | CCCCCCCCCC | Train |
NZ_CCID:
Spermidine | NZ_CCID:
1,4-Butanediamine, N-(3-aminopropyl)- | 124-20-9 | 1Cat 1
| NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/78FC3E9A-504D-4135-882F-9B11A27528A6 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | NZ_CCID | 1 | C(CCNCCCN)CN | https://pubchem.ncbi.nlm.nih.gov/compound/1102 | PubChem | NCCCCNCCCN | Train |
AU_HCIS:
1-Dodecanamine
NZ_CCID:
Dodecylamine | null | 124-22-1 | 1Cat 1
| AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=4989
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/ACE84350-B2BD-4C79-8E03-49C02023B0CA | NZ_CCID:
Skin Irritation
R PHRASE: R 35 [Company Data]
Eye Irritation
R PHRASE: R 35 [Company Data] | null | AU_HCIS, NZ_CCID | 2 | CCCCCCCCCCCCN | https://pubchem.ncbi.nlm.nih.gov/compound/13583 | PubChem | CCCCCCCCCCCCN | Train |
JP_CHRIP:
Methanesulfonyl chloride
KR_NCIS:
Methanesulfonyl chloride
NZ_CCID:
Methanesulphonyl chloride | JP_CHRIP:
Mesyl chloride
Methanesulfonic acid chloride
Methylsulfonyl chloride | 124-63-0 | 1Cat 1
| JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0192e.html
KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances"
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/C421ED1A-ED97-4CDF-BB8F-5F1D253D1A2C | JP_CHRIP:
Based on results of corrosive in a mouse skin irritation test (anesthetized tail method) (PATTY (5th, 2001), IUCLID (2000)), the substance was classified into Category 1.
NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | JP_CHRIP, KR_NCIS, NZ_CCID | 3 | CS(=O)(=O)Cl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.507K | J-GLOBAL | CS(=O)(=O)Cl | Train |
KR_NCIS:
Dichloroethenylmethylsilane
NZ_CCID:
Dichloromethylvinylsilane | KR_NCIS:
Silane, dichloroethenylmethyl- | 124-70-9 | 1Cat 1
| KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances"
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/44F35E4F-D870-4604-8EEF-F4AC49BCA2DB | NZ_CCID:
Skin Irritation
UN # 2985 UN CLASS: 8 PG II
Eye Irritation
R PHRASE: R 35 [Company Data]
UN # 2985 UN CLASS: 8 PG II | null | KR_NCIS, NZ_CCID | 2 | C[Si](C=C)(Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/31299 | PubChem | C=C[Si](C)(Cl)Cl | Train |
EU_REACH:
1-ethoxy-2,3-difluoro-4-{4-[(1s,4r)-4-propylcyclohexyl]cyclohex-1-en-1-yl}benzene | null | 124728-62-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/28115/7/4/2/?documentUUID=d9de185c-dc76-4288-9053-eea823683a25 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCC1CCC(CC1)C2CCC(=CC2)C3=C(C(=C(C=C3)OCC)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/11462604 | PubChem | CCCC1CCC(C2CC=C(c3ccc(OCC)c(F)c3F)CC2)CC1 | Train |
EU_REACH:
1-ethoxy-2,3-difluoro-4-[trans-4-(trans-4-pentylcyclohexyl)-cyclohexyl-benzene | null | 124728-81-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21421/7/4/2/?documentUUID=de581aad-b394-443c-90ed-a478f6e17bb1 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCC)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/22184033 | PubChem | CCCCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1 | Train |
EU_REACH:
methyl 3-(chloromethyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylate | null | 1247712-63-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17001/7/4/2/?documentUUID=18573f79-4aba-4ba3-85fe-2755da42eaf6 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(=O)C1=CC(=NN1C2=C(C=CC=N2)Cl)CCl | https://pubchem.ncbi.nlm.nih.gov/compound/49850068 | PubChem | COC(=O)c1cc(CCl)nn1-c1ncccc1Cl | Train |
EU_REACH:
2-methyl-4-(4-{[6-(prop-2-enoyloxy)hexyl]oxy}benzoyloxy)phenyl 4-{[6-(prop-2-enoyloxy)hexyl]oxy}benzoate | null | 125248-71-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24921/7/4/2/?documentUUID=c888a066-b4bf-4edd-8645-38c4f1e624a6 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCCCCOC(=O)C=C | https://pubchem.ncbi.nlm.nih.gov/compound/21183256 | PubChem | C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C)c2)cc1 | Train |
EU_REACH:
propan-2-yl 3-cyclopentyl-1-methyl-1H-indole-6-carboxylate | null | 1253789-90-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5917/7/4/2/?documentUUID=aca17551-1744-4edc-b31b-7f6c39810c6b | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)OC(=O)C1=CC2=C(C=C1)C(=CN2C)C3CCCC3 | https://pubchem.ncbi.nlm.nih.gov/compound/66835544 | PubChem | CC(C)OC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1 | Train |
EU_REACH:
propan-2-yl 2-bromo-3-cyclopentyl-1-methyl-1H-indole-6-carboxylate | null | 1253791-42-2 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5718/7/4/2/?documentUUID=5cd055a9-4eb1-4578-bc02-8e352ef45e20 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)OC(=O)C1=CC2=C(C=C1)C(=C(N2C)Br)C3CCCC3 | https://pubchem.ncbi.nlm.nih.gov/compound/66835853 | PubChem | CC(C)OC(=O)c1ccc2c(C3CCCC3)c(Br)n(C)c2c1 | Train |
EU_REACH:
trans-2-[4'-[difluoro(3,4,5-trifluorophenoxy)methyl]-2,3',5'-trifluoro[1,1'-biphenyl]-4-yl]-5-butyl-1,3-dioxane | null | 1256753-06-6 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23992/7/4/2/?documentUUID=565bd2b1-61c6-4a41-8d2f-56e1ff9ca23f | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCC1COC(OC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/58362062 | PubChem | CCCCC1COC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1 | Train |
EU_REACH:
1-methoxy-1-[(2-methylbutan-2-yl)peroxy]cyclohexane | null | 125768-93-6 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20436/7/4/2/?documentUUID=bda83525-c124-42d8-951e-0410841be1bc | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCC(C)(C)OOC1(CCCCC1)OC | https://pubchem.ncbi.nlm.nih.gov/compound/14573036 | PubChem | CCC(C)(C)OOC1(OC)CCCCC1 | Train |
EU_REACH:
603-101-3 | null | 125962-78-9 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27195/7/4/2/?documentUUID=63114169-09d0-417b-802e-bb4aae625213 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC=C(C=C1)C2=CCC(CC2)C3CCC4(CC3)OCCO4 | https://pubchem.ncbi.nlm.nih.gov/compound/91980675 | PubChem | Cc1ccc(C2=CCC(C3CCC4(CC3)OCCO4)CC2)cc1 | Train |
EU_REACH:
2-Isobutyryl-3,N-diphenylacrylamide | null | 125971-57-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/4803/7/4/2/?documentUUID=43c44a3a-c178-4bff-b477-2dbf0d9487c5 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)C(=O)C(=CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2 | https://pubchem.ncbi.nlm.nih.gov/compound/53394866 | PubChem | CC(C)C(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1 | Train |
NZ_CCID:
3-Bromo-1-chloro-dimethylhydantoin | NZ_CCID:
Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-, 2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl- | 126-06-7 | 1Cat 1
| NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/50941E84-54E1-443B-9E14-8276396CF98D | NZ_CCID:
Skin Irritation
REMARK: Classification based on a protected data source.
Eye Irritation
REMARK: Classification based on a protected data source. | null | NZ_CCID | 1 | CC1(C(=O)N(C(=O)N1Cl)Br)C | https://pubchem.ncbi.nlm.nih.gov/compound/31335 | PubChem | CC1(C)C(=O)N(Br)C(=O)N1Cl | Train |
EU_REACH:
N-{3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | null | 1262985-23-8 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/32275/7/4/2/?documentUUID=c723d5cf-b0d8-4fae-800a-e52bf23c7403 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CN(C3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)C(=O)C5=C(C=CC=C5Cl)Cl)F | https://pubchem.ncbi.nlm.nih.gov/compound/51001026 | PubChem | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F | Train |
EU_REACH:
N-{3-[5-bromo-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | null | 1262985-24-9 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/31758/7/4/2/?documentUUID=ca052caf-297a-4bb5-b3b6-1e1e62c00944 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CN(C3=C2C=C(C=N3)Br)C(=O)C4=C(C=CC=C4Cl)Cl)F | https://pubchem.ncbi.nlm.nih.gov/compound/51001025 | PubChem | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(Br)cc23)c1F | Train |
EU_REACH:
1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-3-ide-2,4-dione | null | 1263133-33-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24808/7/4/2/?documentUUID=f0315371-8fdf-4726-97eb-341004bc7b1f | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC2=[N+](C(=C(C(=O)N2C=C1)C3=CC(=CC=C3)C(F)(F)F)[O-])CC4=CN=CN=C4 | https://pubchem.ncbi.nlm.nih.gov/compound/57414497 | PubChem | O=c1c(-c2cccc(C(F)(F)F)c2)c([O-])[n+](Cc2cncnc2)c2ccccn12 | Train |
EU_REACH:
bis((1S,2R,6R,7S,8R)-11-(dichloromethylidene)-6-hydroxytricyclo[6.2.1.0²,⁷]undecan-3-one) | null | 1263184-87-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5907/7/4/2/?documentUUID=7e241ccd-6ac1-45c5-a6d7-731de3526c8f | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1CC2C3C(C1C2=C(Cl)Cl)C(CCC3=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/67808389 | PubChem | O=C1CCC(O)C2C3CCC(C3=C(Cl)Cl)C12 | Train |
EU_REACH:
N'-(2-Cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylimidoformamide | null | 1269400-04-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/34043/7/4/2/?documentUUID=4c0537ee-6ee0-4812-b7c6-4861c2b5e9f8 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CN(C)C=NC1=CC(=C(C=C1C#N)[N+](=O)[O-])OC | https://pubchem.ncbi.nlm.nih.gov/compound/53301992 | PubChem | COc1cc(N=CN(C)C)c(C#N)cc1[N+](=O)[O-] | Train |
NZ_CCID:
Pyruvic acid | null | 127-17-3 | 1Cat 1
| NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/6CFC8481-1473-4106-B404-4CA959F7F838 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CC(=O)C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/1060 | PubChem | CC(=O)C(=O)O | Train |
JP_CHRIP:
N,N-Dimethylacetamide | JP_CHRIP:
Acetic acid dimethylamide
Dimethylacetamide | 127-19-5 | 0NC
| JP_CHRIP: https://www.nite.go.jp/chem/ghs/21-meti-2012.html | JP_CHRIP:
【分類根拠】
（１）、（２）より、区分に該当しない。
【根拠データ】
（１）ウサギ（n=2）を用いた皮膚刺激性試験（OECD TG 404相当、閉塞、20時間適用、7日観察）において、全例で24時間後及び72時間後に軽度の紅斑がみられたが、7日以内に回復したとの報告がある（AICIS IMAP (2013)、REACH登録情報 (Accessed Aug. 2021)）。
（２）ウサギ（n=2/群）を用いた皮膚刺激性試験において、最大で500 mg/kgの原液を適用したところ、皮膚刺激性はみられなかったとの報告がある（SIAR (2001)、AICIS IMAP (2013) REACH登録情報 (Accessed Aug. 2021)）。 | Provided | JP_CHRIP | 1 | CN(C)C(=O)C | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.517H | J-GLOBAL | CC(=O)N(C)C | Train |
EU_REACH:
diphenyl sulphone | null | 127-63-9 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13714/7/4/2/?documentUUID=d8363b87-1ec2-40ec-8a25-998e840933e5 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 | https://pubchem.ncbi.nlm.nih.gov/compound/31386 | PubChem | O=S(=O)(c1ccccc1)c1ccccc1 | Train |
NZ_CCID:
Lysol | null | 12772-68-8 | 1Cat 1
| NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/6F8E833A-3060-4AF5-89F1-1C0970CD36C7 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C(CCN)C[C@@H](CO)N | https://pubchem.ncbi.nlm.nih.gov/compound/11607920 | PubChem | NCCCC[C@H](N)CO | Train |
NZ_CCID:
Succinchlorimide
US_HSDB:
N-Chlorosuccinimide | NZ_CCID:
N-chlorosuccinimide | 128-09-6 | 1Cat 1
| NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/534B8FD5-DA7C-4C43-9EE6-E07C3A07252B
US_HSDB: https://pubchem.ncbi.nlm.nih.gov/source/hsdb/5407 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID, US_HSDB | 2 | C1CC(=O)N(C1=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/31398 | PubChem | O=C1CCC(=O)N1Cl | Train |
EU_REACH:
2,4,6-triiodo-5-[2-(propan-2-yl)-1,3-dioxane-5-amido]benzene-1,3-dicarbonyl dichloride | null | 128286-13-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12470/7/4/2/?documentUUID=911b560a-bcd4-4335-9e72-a290fd6848c9 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)C1OCC(CO1)C(=O)NC2=C(C(=C(C(=C2I)C(=O)Cl)I)C(=O)Cl)I | https://pubchem.ncbi.nlm.nih.gov/compound/19825447 | PubChem | CC(C)C1OCC(C(=O)Nc2c(I)c(C(=O)Cl)c(I)c(C(=O)Cl)c2I)CO1 | Train |
NZ_CCID:
Ethylmaleimide | NZ_CCID:
N-Ethylmaleimide | 128-53-0 | 1Cat 1
| NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/66F99534-0D34-48D4-BDFD-9F372C4C240A | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 41 [Company Data] | null | NZ_CCID | 1 | CCN1C(=O)C=CC1=O | https://pubchem.ncbi.nlm.nih.gov/compound/4362 | PubChem | CCN1C(=O)C=CC1=O | Train |
EU_REACH:
tert-Butyl rel-(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate | null | 129332-29-2 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16845/7/4/2/?documentUUID=21933193-8613-40fa-aebf-c01a4e2d0476 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)C3=CC=C(C=C3)F | https://pubchem.ncbi.nlm.nih.gov/compound/10115940 | PubChem | CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c2ccccc21 | Train |
EU_REACH:
(1s,4r)-4-(but-3-en-1-yl)-4'-(4-methylphenyl)-1,1'-bi(cyclohexane) | null | 129738-42-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30434/7/4/2/?documentUUID=1db48264-a8f7-4804-a695-90416161d657 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)CCC=C | https://pubchem.ncbi.nlm.nih.gov/compound/18724321 | PubChem | C=CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1 | Train |
EU_REACH:
2-[(benzyloxy)(4-ethoxyphenyl)methyl]-4-bromo-1-chlorobenzene | null | 1298086-15-3 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11443/7/4/2/?documentUUID=bc8a770f-791c-4f18-b19f-f2810163a6b5 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)Cl)OCC3=CC=CC=C3 | https://pubchem.ncbi.nlm.nih.gov/compound/67153917 | PubChem | CCOc1ccc(C(OCc2ccccc2)c2cc(Br)ccc2Cl)cc1 | Train |
EU_REACH:
4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one | null | 13047-13-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22579/7/4/2/?documentUUID=dfee286f-3d60-4e1b-bd9b-f2481508fea2 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1(CN(NC1=O)C2=CC=CC=C2)CO | https://pubchem.ncbi.nlm.nih.gov/compound/92238 | PubChem | CC1(CO)CN(c2ccccc2)NC1=O | Train |
EU_REACH:
5-[(2-ethylhexanoyl)peroxy]-2,5-dimethylhexan-2-yl 2-ethylhexaneperoxoate | null | 13052-09-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11958/7/4/2/?documentUUID=f5fab42f-11f4-4370-8c59-87c48600fb98 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC | https://pubchem.ncbi.nlm.nih.gov/compound/114448 | PubChem | CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC | Train |
EU_REACH:
5-amino-4-({5-amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}disulfanyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile | null | 130755-46-3 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18253/7/4/2/?documentUUID=14ff8475-0c99-4ba2-86ba-0f97d4ffbdad | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)SSC3=C(N(N=C3C#N)C4=C(C=C(C=C4Cl)C(F)(F)F)Cl)N)N)Cl)C(F)(F)F | https://pubchem.ncbi.nlm.nih.gov/compound/11146906 | PubChem | N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1SSc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N | Train |
EU_REACH:
(2Z)-2-phenylhex-2-enenitrile | null | 130786-09-3 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30707/7/4/2/?documentUUID=2360e3ed-e8ac-41ab-aaaf-63b3f67bd5b3 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCC/C=C(\C#N)/C1=CC=CC=C1 | https://pubchem.ncbi.nlm.nih.gov/compound/5463415 | PubChem | CCC/C=C(\C#N)c1ccccc1 | Train |
EU_REACH:
Methyl 1-(3-chloropyridin-2-yl)-5-hydroxy-3-(hydroxymethyl)-4,5-dihydro-1H-pyrazole-5-carboxylate | null | 1312304-36-1 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16308/7/4/2/?documentUUID=5a012298-7c10-46fb-adbe-64c52bf1408d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(=O)C1(CC(=NN1C2=C(C=CC=N2)Cl)CO)O | https://pubchem.ncbi.nlm.nih.gov/compound/54577408 | PubChem | COC(=O)C1(O)CC(CO)=NN1c1ncccc1Cl | Train |
EU_REACH:
4-{[(4-benzoylphenoxy)carbonyl]oxy}butyl prop-2-enoate | null | 131513-00-3 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12627/7/4/2/?documentUUID=5e65537c-ceb5-4439-800d-d4785a38627e | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 | https://pubchem.ncbi.nlm.nih.gov/compound/14746151 | PubChem | C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 | Train |
NZ_CCID:
Chlorotriisopropylsilane | NZ_CCID:
triisopropylchlorosilane | 13154-24-0 | 1Cat 1
| NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/30EB817D-6B8E-4B7B-82A8-47766864A1A9 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CC(C)[Si](C(C)C)(C(C)C)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/139400 | PubChem | CC(C)[Si](Cl)(C(C)C)C(C)C | Train |
EU_REACH:
triphenyl[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl]-λ⁵-phosphane | null | 131560-11-7 | 1Cat 1
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30300/7/4/2/?documentUUID=1d845d32-da16-42cb-8e45-41f877da34d9 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=CCCC(=CC=CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C)C)C | https://pubchem.ncbi.nlm.nih.gov/compound/73090499 | PubChem | CC(C)=CCCC(C)=CC=CC(C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 | Train |
EU_REACH:
N-vinylformamide | null | 13162-05-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15886/7/4/2/?documentUUID=bb17fd9c-f5cd-473b-892a-95470e93d4c1 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C=CNC=O | https://pubchem.ncbi.nlm.nih.gov/compound/83191 | PubChem | C=CNC=O | Train |
JP_CHRIP:
2,4-Dinitro-6-cyclohexylphenol; Dinex | JP_CHRIP:
Phenol, 2-cyclohexyl-4,6-dinitro- | 131-89-5 | 1Cat 1
| JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-2108e.html | JP_CHRIP:
[Rationale for the Classification]
Based on (1) and (2), it was classified in Category 1. The category was changed since new data were obtained.
[Evidence Data]
(1) This substance had irritative to corrosive effects on the mucous membranes and skin (GESTIS (Access on October 2019)).
(2) This substance is a skin irritant (HSDB (Access on October 2019)). | null | JP_CHRIP | 1 | Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C1CCCCC1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.945I | J-GLOBAL | O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1 | Train |
EU_REACH:
dodecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium | null | 13197-76-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22843/7/4/2/?documentUUID=2d9f55e3-2288-4fc7-913c-a969d0eb6a54 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O | https://pubchem.ncbi.nlm.nih.gov/compound/114474 | PubChem | CCCCCCCCCCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-] | Train |
AU_HCIS:
Phenol, 4-methyl-2-nonyl- | null | 13207-27-7 | 1Cat 1
| AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=6708 | null | null | AU_HCIS | 1 | CCCCCCCCCC1=C(C=CC(=C1)C)O | https://pubchem.ncbi.nlm.nih.gov/compound/83233 | PubChem | CCCCCCCCCc1cc(C)ccc1O | Train |
EU_REACH:
1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane | null | 132182-92-4 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27778/7/4/2/?documentUUID=3af099f4-2dfc-4acf-b646-fe27a33bc682 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/14689855 | PubChem | COC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F | Train |
AU_HCIS:
Phenol, dinonyl- | null | 1323-65-5 | 1Cat 1
| AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=6840 | null | null | AU_HCIS | 1 | CCCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCCC | https://pubchem.ncbi.nlm.nih.gov/compound/172321 | PubChem | CCCCCCCCCc1cccc(O)c1CCCCCCCCC | Train |
EU_REACH:
2-methoxy-4-methylphenyl methyl carbonate | null | 132638-45-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16996/7/4/2/?documentUUID=ef72fade-5798-4cbb-94b8-11b52259b21a | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC(=C(C=C1)OC(=O)OC)OC | https://pubchem.ncbi.nlm.nih.gov/compound/15636422 | PubChem | COC(=O)Oc1ccc(C)cc1OC | Train |
EU_REACH:
2-methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate} | null | 132900-75-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1861/7/4/2/?documentUUID=44f459cc-4c69-4464-a0b8-6956d992e903 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCCOC(=O)C=C | https://pubchem.ncbi.nlm.nih.gov/compound/9917022 | PubChem | C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1 | Train |
EU_REACH:
N-benzylprop-2-enamide | null | 13304-62-6 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/29488/7/4/2/?documentUUID=9ea5bc25-7c80-47c1-aa69-9602849dea2f | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C=CC(=O)NCC1=CC=CC=C1 | https://pubchem.ncbi.nlm.nih.gov/compound/139428 | PubChem | C=CC(=O)NCc1ccccc1 | Train |
EU_REACH:
2-[(2-hydroxyphenyl)methyl]phenol; 2-[(4-hydroxyphenyl)methyl]phenol; 4-[(4-hydroxyphenyl)methyl]phenol | null | 1333-16-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26309/7/4/2/?documentUUID=794c4abc-1efd-4ddb-8794-a80cc844903d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C(=C1)CC2=CC=CC=C2O)O | https://pubchem.ncbi.nlm.nih.gov/compound/75575 | PubChem | Oc1ccccc1Cc1ccccc1O | Train |
EU_REACH:
2-{2-[(2R,4R,6R)-4,6-dihydroxyoxan-2-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione | null | 1333481-90-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23605/7/4/2/?documentUUID=b08b59c2-50f9-4672-a89b-e517168cdbbc | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1[C@H](C[C@@H](O[C@@H]1CCN2C(=O)C3=CC=CC=C3C2=O)O)O | https://pubchem.ncbi.nlm.nih.gov/compound/90262225 | PubChem | O=C1c2ccccc2C(=O)N1CC[C@@H]1C[C@@H](O)C[C@H](O)O1 | Train |
EU_REACH:
2-[(1E)-2-(2,4-diamino-6-hydroxypyrimidin-5-yl)diazen-1-yl]-5-methylbenzene-1-sulfonic acid | null | 1333483-07-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5819/7/4/2/?documentUUID=cb160d38-b650-45c7-ae8e-b04ab65e2aff | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C(=CC=C1)S(=O)(=O)O)N=NC2=C(N=C(NC2=O)N)N | https://pubchem.ncbi.nlm.nih.gov/compound/165364080 | PubChem | Cc1cccc(S(=O)(=O)O)c1N=Nc1c(N)nc(N)[nH]c1=O | Train |
EU_REACH:
Propan-2-yl N-[(S)-(pentafluorophenoxy)(phenoxy)-phosphoryl]-L-alanine | null | 1334513-02-8 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18410/7/4/2/?documentUUID=1228c885-efe1-45b0-b456-7b0082625a2a | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/53476763 | PubChem | CC(C)OC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F | Train |
KR_NCIS:
Dimethylsulfamoyl chloride
NZ_CCID:
Dimethylsulphamoyl chloride | KR_NCIS:
Dimethylaminosulfonyl chloride; Dimethylsulfamoyl chloride; N,N-Dimethylaminosulfonyl chloride; N,N-Dimethylsulfamyl chloride; Sulfamoyl chloride, dimethyl-; Sulfamoyl chloride, N,N-dimethyl-
NZ_CCID:
N,N-Dimethylsulfamoyl chloride, dimethylsulfamoyl chloride | 13360-57-1 | 1Cat 1
| KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances"
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/88D9317E-FE3C-4472-9A72-43E3F3DE1CEC | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | KR_NCIS, NZ_CCID | 2 | CN(C)S(=O)(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/83372 | PubChem | CN(C)S(=O)(=O)Cl | Train |
EU_REACH:
2-ethylhexyl 2-cyanoacetate | null | 13361-34-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1727/7/4/2/?documentUUID=f16a9af2-90b6-47ea-98b4-85b6a4c3981d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCC(CC)COC(=O)CC#N | https://pubchem.ncbi.nlm.nih.gov/compound/96359 | PubChem | CCCCC(CC)COC(=O)CC#N | Train |
AU_HCIS:
2-Butanone, peroxide
KR_NCIS:
2-Butanone, peroxide
NZ_CCID:
2-Butanone, peroxide 33-40% in dimethyl phthalate + 1-10% methyl ethyl ketone | KR_NCIS:
Ethyl methyl ketone peroxide; Methyl ethyl ketone hydroperoxide; MEKP
NZ_CCID:
2-Butanone, peroxide, Butanox LPT, Ethyl methyl ketone peroxide, Ketonox, Mepox, Methyl ethyl ketone hydroperoxide, Methyl ethyl ketone peroxide | 1338-23-4 | 1Cat 1
| AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=5494
KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances"
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/5444433B-0981-4A1D-AE16-7F47D7AC6E5A | NZ_CCID:
Skin Irritation
SPECIES:
RESULT: Corrosive to skin and mucous membrane.
REFERENCE SOURCE: Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984.,p. II-108]**PEER REVIEWED**
[HSDB]
Eye Irritation
SPECIES: Rabbit
RESULT: Severe (graded 6 on a scale of 0 to 7)
REFERENCE SOURCE: [QC Reviewed] Grant, W.M. Toxicology of the Eye. 3rd ed. Springfield, IL: Charles C. Thomas Publisher, 1986. 618. [HSDB] | null | AU_HCIS, KR_NCIS, NZ_CCID | 3 | CCC(C)(OO)OOC(C)(CC)OO | https://pubchem.ncbi.nlm.nih.gov/compound/3672772 | PubChem | CCC(C)(OO)OOC(C)(CC)OO | Train |
EU_REACH:
1-{[(2R,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole | null | 133855-98-8 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/33675/7/4/2/?documentUUID=527ed234-8fb4-4233-94ee-b2a9e3e614ed | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/3317081 | PubChem | Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1 | Train |
EU_REACH:
2,2'-diazene-1,2-diylbis(2-methylbutanenitrile) | null | 13472-08-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5486/7/4/2/?documentUUID=ece7fdf3-fec2-49ad-8eaf-1fdb6d1f3467 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCC(C)(C#N)N=NC(C)(CC)C#N | https://pubchem.ncbi.nlm.nih.gov/compound/93079 | PubChem | CCC(C)(C#N)N=NC(C)(C#N)CC | Train |
EU_REACH:
(4-methylphenyl)(phenyl)methanone | null | 134-84-9 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21484/7/4/2/?documentUUID=38e2b668-7b0e-4819-8307-4024f124a40a | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 | https://pubchem.ncbi.nlm.nih.gov/compound/8652 | PubChem | Cc1ccc(C(=O)c2ccccc2)cc1 | Train |
EU_REACH:
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide | null | 13515-40-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11102/7/4/2/?documentUUID=e2553dc2-1a6f-4306-9442-f7629fc6d411 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-] | https://pubchem.ncbi.nlm.nih.gov/compound/61637 | PubChem | COc1ccccc1NC(=O)C(N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)=O | Train |
EU_REACH:
2-naphthol
JP_CHRIP:
beta Naphthol | JP_CHRIP:
2-Hydroxynaphthalene
2-Naphthalenol
beta-naphthol
Isonaphthol | 135-19-3 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26470/7/4/2/?documentUUID=67f1a7e2-d562-4fc8-a780-552cdfa9d077
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/15-meti-0016e.html | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
It is described that, in a skin irritation test with rabbits (OECD TG 404), after 500 mg of this substance was applied under semi-occlusive conditions for 4 hours, the Draize score was 0 (SIDS (2006)). From the above, this substance was classified as "Not classified." | Provided | EU_REACH, JP_CHRIP | 2 | Oc1ccc2ccccc2c1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.530E | J-GLOBAL | Oc1ccc2ccccc2c1 | Train |
EU_REACH:
1-(3-chloropyridin-2-yl)-3-{[5-(trifluoromethyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-1H-pyrazole-5-carboxylic acid | null | 1352319-02-8 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19268/7/4/2/?documentUUID=d30d6a9c-20ab-4c5e-aebb-9064afa10598 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC(=C(N=C1)N2C(=CC(=N2)CN3N=C(N=N3)C(F)(F)F)C(=O)O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/67289880 | PubChem | O=C(O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl | Train |
EU_REACH:
ethyl 4-methyl-2-oxocyclohexane-1-carboxylate | null | 13537-82-1 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27448/7/4/2/?documentUUID=813c0797-d8f0-4008-902d-1256490bbae3 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC(=O)C1CCC(CC1=O)C | https://pubchem.ncbi.nlm.nih.gov/compound/98162 | PubChem | CCOC(=O)C1CCC(C)CC1=O | Train |
EU_REACH:
3-hydroxy-N-(3-nitrophenyl)-2-naphthamide | null | 135-65-9 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18978/7/4/2/?documentUUID=213f5e70-3e96-4b39-8ebd-9bc66f1d7b42 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O | https://pubchem.ncbi.nlm.nih.gov/compound/67277 | PubChem | O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O | Train |
NZ_CCID:
2-Bromo-4'-phenylacetophenone | null | 135-73-9 | 1Cat 1
| NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/F81BA223-02A9-4A66-AF6E-3708D0692A20 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr | https://pubchem.ncbi.nlm.nih.gov/compound/67282 | PubChem | O=C(CBr)c1ccc(-c2ccccc2)cc1 | Train |
EU_REACH:
(1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol | null | 135861-56-2 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8016/7/4/2/?documentUUID=aad19ea0-46d5-4012-a320-703f2f851f28 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=C(C=C1)C2OC[C@H]3[C@@H](O2)[C@H](OC(O3)C4=CC(=C(C=C4)C)C)[C@@H](CO)O)C | https://pubchem.ncbi.nlm.nih.gov/compound/18666587 | PubChem | Cc1ccc(C2OC[C@@H]3OC(c4ccc(C)c(C)c4)O[C@H]([C@H](O)CO)[C@@H]3O2)cc1C | Train |
KR_NCIS:
1,4-Dithiane-2,5-di(methanethiol) | null | 136122-15-1 | 1Cat 1
| KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | null | null | KR_NCIS | 1 | C1C(SCC(S1)CS)CS | https://pubchem.ncbi.nlm.nih.gov/compound/11401600 | PubChem | SCC1CSC(CS)CS1 | Train |
KR_NCIS:
2-Isocyanatoethyl 2-propenoate | null | 13641-96-8 | 1Cat 1
| KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | null | null | KR_NCIS | 1 | C=CC(=O)OCCN=C=O | https://pubchem.ncbi.nlm.nih.gov/compound/3014768 | PubChem | C=CC(=O)OCCN=C=O | Train |
EU_REACH:
2,6-dimethylphenyl 4-hydroxybenzene-1-sulfonate | null | 1364731-90-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6296/7/4/2/?documentUUID=0e0cc07b-3d6b-460f-ba72-c4fa60d156c7 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C(=CC=C1)C)OS(=O)(=O)C2=CC=C(C=C2)O | https://pubchem.ncbi.nlm.nih.gov/compound/89798625 | PubChem | Cc1cccc(C)c1OS(=O)(=O)c1ccc(O)cc1 | Train |
JP_CHRIP:
Tris(dichloropropyl) phosphate | JP_CHRIP:
Tris(1,3-dichloro-2-propyl) phosphate
tris(1,3-dichloro-2-propyl)phosphate | 13674-87-8 | 0NC
| JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0089e.html | JP_CHRIP:
In the rabbit test (OECD TG404, GLP-compliant) that 0.5 ml of test substance was instilled to 3 rabbits for 4 hours with semi-occlusive conditions, erythema (grade 2) was recorded in 2/3 animals after one hour and persisted for 24 hours in one animal. Erythema (grade 1) was noted in the third animal. There was no edema. All reactions disappeared within 48 hours (EU-RAR (2008)). Based on the document, the substance was classified as "Not classified". | Provided | JP_CHRIP | 1 | ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J640H | J-GLOBAL | O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl | Train |
EU_REACH:
1,8-bis(phenylsulfanyl)-9,10-dihydroanthracene-9,10-dione | null | 13676-91-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11269/7/4/2/?documentUUID=62f73577-a8ad-4bd2-bb4e-dee22c6bd943 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5 | https://pubchem.ncbi.nlm.nih.gov/compound/83650 | PubChem | O=C1c2cccc(Sc3ccccc3)c2C(=O)c2c(Sc3ccccc3)cccc21 | Train |
EU_REACH:
4,4'-methylenebis(2,6-diethylaniline) | null | 13680-35-8 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21592/7/4/2/?documentUUID=e8334bc4-98cb-44bd-a2f7-0daf0ab3b068 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCC1=CC(=CC(=C1N)CC)CC2=CC(=C(C(=C2)CC)N)CC | https://pubchem.ncbi.nlm.nih.gov/compound/83656 | PubChem | CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N | Train |
KR_NCIS:
Nonylphenols | KR_NCIS:
2-Nonylphenol; o-Nonylphenol; Phenol, 2-nonyl-; Phenol, o-nonyl- | 136-83-4 | 1Cat 1
| KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | null | null | KR_NCIS | 1 | CCCCCCCCCC1=CC=CC=C1O | https://pubchem.ncbi.nlm.nih.gov/compound/67296 | PubChem | CCCCCCCCCc1ccccc1O | Train |
EU_REACH:
2-[(2-{bis[(dioctadecylcarbamoyl)methyl]amino}ethyl)[(dioctadecylcarbamoyl)methyl]amino]-N,N-dioctadecylacetamide | null | 136920-07-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18106/7/4/2/?documentUUID=538f48e7-efc5-4301-afc3-966b41998e4f | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N | https://pubchem.ncbi.nlm.nih.gov/compound/6083 | PubChem | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | Train |
EU_REACH:
(5Z)-5-(2-methylpropylidene)imidazolidine-2,4-dione | null | 1369499-44-4 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20950/7/4/2/?documentUUID=904877a4-d525-4ba7-9aa1-d5f5e052771a | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)/C=C\1/C(=O)NC(=O)N1 | https://pubchem.ncbi.nlm.nih.gov/compound/13392838 | PubChem | CC(C)/C=C1\NC(=O)NC1=O | Train |
EU_REACH:
4,5-dihydro-2-undecyl-1H-imidazole-1-ethanol | null | 136-99-2 | 1Cat 1
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26475/7/4/2/?documentUUID=74178948-b943-4a9b-9ba6-ecae27251ab3 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCCCCC1=NCCN1CCO | https://pubchem.ncbi.nlm.nih.gov/compound/8709 | PubChem | CCCCCCCCCCCC1=NCCN1CCO | Train |
EU_REACH:
4-(2-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)benzoic acid | null | 137281-39-1 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/3392/7/4/2/?documentUUID=9c93dd05-0446-4aeb-993c-a8dcfbfd298b | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/135405776 | PubChem | Nc1nc2[nH]cc(CCc3ccc(C(=O)O)cc3)c2c(=O)[nH]1 | Train |
EU_REACH:
tert-Butyl 4-({6-[7-cyclopentyl-6-(dimethylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}pyridin-3-yl)piperazine-1-carboxylate | null | 1374639-78-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27666/7/4/2/?documentUUID=7406d2ef-a58e-4510-ba25-56b8c67dd94c | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C(N(C4=N3)C5CCCC5)C(=O)N(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/67354206 | PubChem | CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n1C1CCCC1 | Train |
EU_REACH:
N-isopropylmethacrylamide | null | 13749-61-6 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5438/7/4/2/?documentUUID=feb7e492-09bc-4da4-9e48-d35e43d2b7d8 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)NC(=O)C(=C)C | https://pubchem.ncbi.nlm.nih.gov/compound/83698 | PubChem | C=C(C)C(=O)NC(C)C | Train |
EU_REACH:
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-{3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy}phenol | null | 137658-79-8 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/29511/7/4/2/?documentUUID=14a73c26-f93e-4e0d-8ddb-751101590bc6 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCC(CC)COCC(COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O)O | https://pubchem.ncbi.nlm.nih.gov/compound/135530657 | PubChem | CCCCC(CC)COCC(O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1 | Train |
NZ_CCID:
Piperidine, 4-[3-(dichloromethylsilyl)propoxy]-2,2,6,6-tetramethyl-, hydrolyzed, polymd. | null | 137898-96-5 | 1Cat 1
| NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/6CDA1135-45B4-4EA8-B148-F9D2664446AD | null | null | NZ_CCID | 1 | CC1(CC(CC(N1)(C)C)OCCC[Si]C(Cl)Cl)C | https://pubchem.ncbi.nlm.nih.gov/compound/53424536 | PubChem | CC1(C)CC(OCCC[Si]C(Cl)Cl)CC(C)(C)N1 | Train |
AU_HCIS:
Phenol, 2,4-dinonyl- | null | 137-99-5 | 1Cat 1
| AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=5790 | null | null | AU_HCIS | 1 | CCCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCCC | https://pubchem.ncbi.nlm.nih.gov/compound/8735 | PubChem | CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1 | Train |
EU_REACH:
1-difluoromethanesulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-1H-indol-2-ol | null | 1383692-20-3 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18053/7/4/2/?documentUUID=d31db7aa-e1b8-4361-bfbe-1be8b1745ba3 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC1=NC(=NC(=N1)C2=C(N(C3=C2C=CC=C3F)S(=O)(=O)C(F)F)O)OC | https://pubchem.ncbi.nlm.nih.gov/compound/136338231 | PubChem | COc1nc(OC)nc(-c2c(O)n(S(=O)(=O)C(F)F)c3c(F)cccc23)n1 | Train |
EU_REACH:
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-2,3-dihydro-1H-indol-2-one | null | 1383706-71-5 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18051/7/4/2/?documentUUID=1a8dc607-8ac9-4dae-8681-316b8d976cb3 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC1=NC(=NC(=N1)C2C3=C(C(=CC=C3)F)NC2=O)OC | https://pubchem.ncbi.nlm.nih.gov/compound/67982437 | PubChem | COc1nc(OC)nc(C2C(=O)Nc3c(F)cccc32)n1 | Train |
EU_REACH:
(3R,4R)-1,1,1,2,2,3,4,5,5,5-decafluoropentane; (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane | null | 138495-42-8 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5463/7/4/2/?documentUUID=f59b478a-81f6-45e4-8652-ea5caf04dbef | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C(C(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/86240 | PubChem | FC(C(F)C(F)(F)C(F)(F)F)C(F)(F)F | Train |
EU_REACH:
5-methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile | null | 138564-59-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/32798/7/4/2/?documentUUID=8566bea1-5a59-4092-8e20-97bca0223339 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C#N | https://pubchem.ncbi.nlm.nih.gov/compound/395460 | PubChem | Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1 | Train |
EU_REACH:
(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)propyl-2-ammonium (1R, 5S)-5-(dimethylphenylsilyl)-2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate | null | 1388152-30-4 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5606/7/4/2/?documentUUID=fcb75064-659a-46be-9332-15536ebf75d1 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[Si](C)([C@H]1CC=C([C@@H]1C(=O)O[C@](C2=CC=C(C=C2)[N+](=O)[O-])([C@@H](CO)N)O)CO)C3=CC=CC=C3 | https://pubchem.ncbi.nlm.nih.gov/compound/165362778 | PubChem | C[Si](C)(c1ccccc1)[C@H]1CC=C(CO)[C@@H]1C(=O)O[C@](O)(c1ccc([N+](=O)[O-])cc1)[C@H](N)CO | Train |
EU_REACH:
2-{2-[2-(carboxymethoxy)ethoxy]ethoxy}acetic acid | null | 13887-98-4 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/25085/7/4/2/?documentUUID=7fba0b6f-f04c-419f-8085-a493357cc89d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C(COCC(=O)O)OCCOCC(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/83793 | PubChem | O=C(O)COCCOCCOCC(=O)O | Train |
EU_REACH:
3-{[bis(2,6-dimethylphenoxy)phosphoryl]oxy}phenyl bis(2,6-dimethylphenyl) phosphate | null | 139189-30-3 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/33982/7/4/2/?documentUUID=acbd5ce7-2247-4889-9f5d-01969aac1969 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C(=CC=C1)C)OP(=O)(OC2=CC(=CC=C2)OP(=O)(OC3=C(C=CC=C3C)C)OC4=C(C=CC=C4C)C)OC5=C(C=CC=C5C)C | https://pubchem.ncbi.nlm.nih.gov/compound/9874767 | PubChem | Cc1cccc(C)c1OP(=O)(Oc1cccc(OP(=O)(Oc2c(C)cccc2C)Oc2c(C)cccc2C)c1)Oc1c(C)cccc1C | Train |
EU_REACH:
methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoate | null | 139481-28-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18174/7/4/2/?documentUUID=361b625d-6119-4a0f-8115-c211a1de1dda | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C3=CC=CC=C3C#N | https://pubchem.ncbi.nlm.nih.gov/compound/15654651 | PubChem | COC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2C#N)cc1 | Train |
EU_REACH:
Methyl 1-[(2’-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate | null | 139481-44-0 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18072/7/4/2/?documentUUID=70708469-5d76-4529-8f5d-2d6e1902f1b2 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC | https://pubchem.ncbi.nlm.nih.gov/compound/15654674 | PubChem | CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C#N)cc1 | Train |
EU_REACH:
2-ethoxy-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid | null | 139481-59-7 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11979/7/4/2/?documentUUID=f5b01d28-a55d-43a1-ac7e-2416f721b76b | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/2541 | PubChem | CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | Train |
EU_REACH:
methyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate | null | 139481-69-9 | 0NC
| EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18135/7/4/2/?documentUUID=5180bb1c-f0ea-41e5-b8fe-8e7d9d0c5e04 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC | https://pubchem.ncbi.nlm.nih.gov/compound/15654696 | PubChem | CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | Train |
JP_CHRIP:
sec-Butylamine
KR_NCIS:
1-Methylpropylamine
NZ_CCID:
s-Butylamine | JP_CHRIP:
1-Methyl propylamine
1-methylpropylamine
2-Aminobutane
2-Butanamine
KR_NCIS:
(+)-(S)-sec-Butylamine; (+)-2-Aminobutane; (+)-2-Butylamine; (+)-sec-Butylamine; (+/-)-2-Butanamine; 1-Methylpropylamine; 2-Aminobutane; 2-Butanamine; 2-Butanamine, (2S)-; sec-Butylamine
NZ_CCID:
(RS)-sec-Butylamine, 1-Methylpropanamine, 1-Methylpropylamine, 2-AB, 2-Aminobutane, 2-Butanamine, 2-Butylamine, Butafume, Sec-butylamine, Tutane | 13952-84-6 | 1Cat 1
| JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0062e.html
KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances"
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/0A694DC6-5774-458B-B162-946F4B872A60 | JP_CHRIP:
In the rabbit test, the substance was reported as a primary irritant (JMPR 320 (1975)), and the substance was classified as "C; R35" (EC-JRC (ESIS) (Access on Jul. 2010)). Based on these documents, the substance was classified as Category 1. As relevant notes, contact with human skin causes irritation or burns or dermatitis (HSDB (2008)).
NZ_CCID:
Skin Irritation
UN CLASS: PG II
Eye Irritation
R PHRASE: R 35 [Company Data] | null | JP_CHRIP, KR_NCIS, NZ_CCID | 3 | CCC(C)N | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.464F | J-GLOBAL | CCC(C)N | Train |
KR_NCIS:
Nonylphenols | KR_NCIS:
3-Nonylphenol; m-Nonylphenol; Phenol, 3-nonyl-; Phenol, m-nonyl- | 139-84-4 | 1Cat 1
| KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | null | null | KR_NCIS | 1 | CCCCCCCCCC1=CC(=CC=C1)O | https://pubchem.ncbi.nlm.nih.gov/compound/67320 | PubChem | CCCCCCCCCc1cccc(O)c1 | Train |