JAZL/ChemGist-CHON huggingface dataset:
Compound: D-Erythrose
SMILES: O=C[C@H](O)[C@H](O)CO
InChIKey: YTBSYETUWUMLBZ-IUYQGCFVSA-N
Synonyms: D-Erythrose, 583-50-6, (2R,3R)-2,3,4-trihydroxybutanal, D-(-)-Erythrose, D-erythro-tetrose, Erythrose, D-, X3EI0WE8Q4, CHEBI:27904, DTXSID601318240, RefChem:582714, GlyTouCan:G76233QG, D-erythro-tetrose;D-erythrose, DTXCID001748027, G76233QG, 209-505-2, Erythrose, 1758-51-6, (+/-)-Erythrose, MFCD00006970, Butanal, 2,3,4-trihydroxy-, (2R,3R)-rel-, 756EZ12FT6, Butanal, 2,3,4-trihydroxy-, (2R,3R)-, D-Erythrose (w/v = 10 mg/ml), D-Erythrose (w/v = 10 mg/ml in water), UNII-X3EI0WE8Q4, UNII-756EZ12FT6, Butanal, 2,3,4-trihydroxy-, (R*,R*)-, DL-Erythrose, EINECS 209-505-2, ERYTHROSE, DL-, D-ERYTHROSE [MI], A1EJ2, SCHEMBL42624, orb1705950, DTXSID201017424, D-Erythrose, 70% aqueous solution, AKOS016011079, ME00138, rel-(2R,3R)-2,3,4-Trihydroxybutanal, SY234733, D-ERYTHROSE (CA. 70% IN WATER), Butanal,2,3,4-trihydroxy-, (2R,3R)-, DB-007401, HY-116956, CS-0066906, NS00079893, T72661, F903831, Q423225, B1552B3E-262B-4CEF-A0A9-79C534BCEE4E, D-Erythrose - min 50% purity as a 70% aq. solution, 210230-59-4
Theoretical properties:
molecular_formula: C4H8O4
molecular_weight: 120.10 g/mol
exact_mass: 120.04225873 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 8
topological_polar_surface_area: 77.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: D-erythrose is the D-enantiomer of erythrose. It has a role as a plant metabolite. It is an enantiomer of a L-erythrose.
chebi: The <small>D</small>-enantiomer of erythrose.
wikipedia: Erythrose is a tetrose saccharide with the chemical formula C4H8O4. It has one aldehyde group, and is thus part of the aldose family.  The natural isomer is D-erythrose; it is a diastereomer of D-threose. 

Erythrose was first isolated in 1849 from rhubarb by the French pharmacist Louis-Félix-Joseph Garot (1798–1869), and was named as such because of its red hue in the presence of alkali metals (ἐρυθρός, "red").
Erythrose 4-phosphate is an intermediate in the pentose phosphate pathway and the Calvin cycle.

Oxidative bacteria can be made to use erythrose as its sole energy source.
Although often inconsequential, erythrose in aqueous solution mainly exists as the hydrate owing to the following equilibrium:

HOCH2CH(OH)CH(OH)CHO + H2O   ⇌   HOCH2CH(OH)CH(OH)CH(OH)2
Compound: L-Erythrose
SMILES: O=C[C@@H](O)[C@@H](O)CO
InChIKey: YTBSYETUWUMLBZ-DMTCNVIQSA-N
Synonyms: L-Erythrose, 533-49-3, Erythrose, L-, 96DH71781X, CHEBI:21288, DTXSID30201447, RefChem:151851, GlyTouCan:G09069ML, L-erythro-tetrose;L-erythrose, DTXCID30123938, G09069ML, 208-567-8, (2S,3S)-2,3,4-trihydroxybutanal, L-(+)-Erythrose, L(+)-Erythrose, Butanal, 2,3,4-trihydroxy-, (2S,3S)-, L-erythro-tetrose, L-Erythrose (~0.1 M solution in water), UNII-96DH71781X, EINECS 208-567-8, MFCD00064377, (+)-ERYTHROSE, L-ERYTHROSE [MI], SCHEMBL424699, orb1705747, MSK012231, AKOS016844119, HY-116956A, ME00260, AS-83567, CS-0139803, G77771, Q27109384, (2S,3S)-2,3,4-Trihydroxybutanal; (+)-Erythrose; L-(+)-Erythrose;
Theoretical properties:
molecular_formula: C4H8O4
molecular_weight: 120.10 g/mol
exact_mass: 120.04225873 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 8
topological_polar_surface_area: 77.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: L-erythrose is the L-enantiomer of erythrose. It is an enantiomer of a D-erythrose.
chebi: The <small>L</small>-enantiomer of erythrose.
wikipedia: Erythrose is a tetrose saccharide with the chemical formula C4H8O4. It has one aldehyde group, and is thus part of the aldose family.  The natural isomer is D-erythrose; it is a diastereomer of D-threose. 

Erythrose was first isolated in 1849 from rhubarb by the French pharmacist Louis-Félix-Joseph Garot (1798–1869), and was named as such because of its red hue in the presence of alkali metals (ἐρυθρός, "red").
Erythrose 4-phosphate is an intermediate in the pentose phosphate pathway and the Calvin cycle.

Oxidative bacteria can be made to use erythrose as its sole energy source.
Although often inconsequential, erythrose in aqueous solution mainly exists as the hydrate owing to the following equilibrium:

HOCH2CH(OH)CH(OH)CHO + H2O   ⇌   HOCH2CH(OH)CH(OH)CH(OH)2
Compound: D-arabinose
SMILES: O=C[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey: PYMYPHUHKUWMLA-WDCZJNDASA-N
Synonyms: D-arabinose, 10323-20-3, Arabinose, D-, F0W6ETZ4E5, DTXSID70858954, RefChem:916097, GlyTouCan:G16391NR, DTXCID6021610, CHEBI:17108, 233-708-5, G16391NR, D-(-)-Arabinose, (2S,3R,4R)-2,3,4,5-tetrahydroxypentanal, 147-81-9, (-)-Arabinose, Arabinose,d, beta-D-(-)-Arabinose, aldehydo-D-arabinose, MFCD00135608, AI3-18439, DTXSID8041610, C5H10O5, 509X20752R, Arabinose, DL-, (+-)-Arabinose, UNII-F0W6ETZ4E5, D-aArabinose, D-rabinose, Arabinose, D- (8CI); (-)-Arabinose; Anhydroarabinose; D-(-)-Arabinose, UNII-509X20752R, EINECS 205-699-8, EINECS 233-708-5, EINECS 243-619-3, D-Arabinose (9CI), ARABINOSE D-FORM, D-arabinose (Standard), ARABINOSE [MI], aldehydo-D-arabino-pentose, Arabinose, D- (8CI), ARABINOSE [USP-RS], SCHEMBL18363, ARABINOSE D-FORM [MI], CHEMBL500808, orb1304701, orb3025715, ARABINOSE, (+/-)-, CHEBI:46983, HY-N0059R, DTXCID301324371, HY-N0059, HY-N2353, Tox21_301533, MSK158548, AKOS006343696, AKOS015855459, CS-W008725, EBC-245047, ()-rabinose; DL-rabinose; dl-rabinose, NCGC00255695-01, AC-32132, BS-10023, CAS-147-81-9, SY013715, DB-007394, DB-230285, A0513, A0514, CS-0022535, NS00079265, EN300-135943, F10533, F093731, F554498, Q63398845, (2S,3R,4R)-2,3,4,5-tetrahydroxypentanal and enantiomer
Theoretical properties:
molecular_formula: C5H10O5
molecular_weight: 150.13 g/mol
exact_mass: 150.05282342 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 10
topological_polar_surface_area: 98 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Aldehydo-D-arabinose is a D-arabinose and an aldehydo-arabinose. It is an enantiomer of an aldehydo-L-arabinose.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Arabinose is an aldopentose – a monosaccharide containing five carbon atoms, and including an aldehyde (CHO) functional group.
Compound: DIMETHYL ETHER
SMILES: O(C)C
InChIKey: LCGLNKUTAGEVQW-UHFFFAOYSA-N
Synonyms: DIMETHYL ETHER, Methoxymethane, Methyl ether, Dimethyl oxide, 115-10-6, Oxybismethane, Methyl oxide, Methane, oxybis-, Wood ether, Dymel A, Ether, dimethyl, Ether, methyl, Demeon D, AM13FS69BX, DTXSID8026937, CHEBI:28887, RefChem:6420, DTXCID106937, 204-065-8, Methane, 1,1'-oxybis-, (CH3)2O, MFCD00008494, 157621-61-9, CH3-O-CH3, dimethylether, methylether, HSDB 354, Dimethyl ether, puriss., >=99.9% (GC), EINECS 204-065-8, UN1033, UNII-AM13FS69BX, monomethylether, Dimehtylether, Dymel, monomethyl ether, oxybis(methane), mono methyl ether, Dimethyl ether 99%, OMe2, SCHEMBL867, SCHEMBL868, Dimethyl ether, >=99%, EC 204-065-8, DIMETHYL ETHER [MI], 1,1'-OXYBISMETHANE, DIMETHYL ETHER [HSDB], Dimethyl ether, >=99.9%, SCHEMBL121690, SCHEMBL289906, SCHEMBL319527, SCHEMBL644160, DIMETHYL ETHER [VANDF], CHEMBL119178, DIMETHYL ETHER [MART.], DIMETHYL ETHER [WHO-DD], SCHEMBL13088431, SCHEMBL29625179, AKOS015915866, Dimethyl ether, puriss., >=99.8%, UN 1033, InChI=1/C2H6O/c1-3-2/h1-2H, Dimethyl ether [UN1033]  [Flammable gas], M0224, NS00002398, Q408050
Theoretical properties:
molecular_formula: C2H6O
molecular_weight: 46.07 g/mol
exact_mass: 46.041864811 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 3
topological_polar_surface_area: 9.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: COLORLESS GAS @ USUAL TEMP, BUT EASILY CONDENSIBLE
color: COLORLESS GAS @ USUAL TEMP, BUT EASILY CONDENSIBLE
odor: Slight ethereal odor
boiling_point: -8 °F at 760 mmHg (NTP, 1992)
melting_point: -217.3 °F (NTP, 1992)
density: 0.724 at -12.46 °F (USCG, 1999) - Less dense than water; will float
solubility: 1 vol water takes up 37 vol gas
flash_point: 25 °F (NTP, 1992)
vapor_pressure: 2.128 mmHg (NTP, 1992)
Descriptions:
pubchem: Dimethyl ether is an ether in which the oxygen atom is connected to two methyl groups.
chebi: An ether in which the oxygen atom is connected to two methyl groups.
chembl: METHOXYMETHANE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dimethyl ether (DME; also known as methoxymethane) is the organic compound with the formula CH3OCH3, 
(sometimes ambiguously simplified to C2H6O as it is an isomer of ethanol). The simplest ether, it is a colorless gas that is a useful precursor to other organic compounds and an aerosol propellant that is currently being demonstrated for use in a variety of fuel applications.
Dimethyl ether was first synthesised by Jean-Baptiste Dumas and Eugene Péligot in 1835 by distillation of methanol and sulfuric acid.
Compound: DIETHYL MALONATE
SMILES: O=C(OCC)CC(=O)OCC
InChIKey: IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Synonyms: DIETHYL MALONATE, 105-53-3, Diethyl propanedioate, Ethyl malonate, Malonic ester, Propanedioic acid, diethyl ester, 1,3-diethyl propanedioate, Carbethoxyacetic ester, Malonic acid, diethyl ester, Dicarbethoxymethane, Ethyl propanedioate, Ethyl methanedicarboxylate, Methanedicarboxylic acid, diethyl ester, FEMA No. 2375, DTXSID7021863, Propanedioic acid, 1,3-diethyl ester, NSC-8864, 53A58PA183, DTXCID701863, NSC-136903, RefChem:5746, 203-305-9, 2676-55-3, diethylmalonate, Malonic acid diethyl ester, Ethyl malonate (VAN), MFCD00009195, propanedioic acid diethyl ester, NSC 8864, diethyl propane-1,3-dioate, CAS-105-53-3, Malonic acid diethyl, EINECS 203-305-9, dietyl malonate, AI3-00656, CCRIS 9480, UNII-53A58PA183, Propanedioic acid 1,3-diethyl ester, malonic acid-diethylester, CH2(COOEt)2, EC 203-305-9, Diethyl propanedioate, 9CI, SCHEMBL8636, ETHYL MALONATE [MI], WLN: 2OV1VO2, SCHEMBL167265, SCHEMBL288480, DIETHYL MALONATE [FCC], CHEMBL177114, orb1689871, orb3025672, SCHEMBL7281100, DIETHYL MALONATE [FHFI], FEMA 2375, HSDB 8438, Diethyl malonate, >=98%, FG, NSC8864, CHEBI:167785, STR00319, Tox21_201362, Tox21_302931, BBL027742, BDBM50502172, Diethyl malonate, analytical standard, MSK1942-100B, s6208, SBB040813, STL281878, AKOS000118957, MSK1942-1000B, CS-W020637, EBC-152368, FD12154, Diethyl malonate, ReagentPlus(R), 99%, NCGC00249033-01, NCGC00256502-01, NCGC00258914-01, DB-051013, Diethyl malonate, purum, >=97.0% (GC), M0029, NS00001108, ST50214386, Diethyl malonate, puriss., >=99.0% (GC), EN300-19208, D78522, Diethyl malonate Solution in Acetone, 100ug/mL, Diethyl malonate, Vetec(TM) reagent grade, 98%, Diethyl malonate Solution in Acetone, 1000ug/mL, F094505, Q27887610, F1908-0063, Z104473166, PROPANEDIOIC ACID,DIETHYL ESTER  (MALONIC ACID,DIETHYL ESTER), InChI=1/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H
Theoretical properties:
molecular_formula: C7H12O4
molecular_weight: 160.17 g/mol
exact_mass: 160.07355886 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 6
heavy_atom_count: 11
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Sweet ester odor
boiling_point: 200 °C
melting_point: -50 °C
density: 1.0551 g/cu cm at 20 °C
solubility: In water, 20 g/L at 20 °C
flash_point: 200 °F (93 °C) (open cup)
vapor_pressure: 0.26 [mmHg]
Descriptions:
pubchem: Ethyl malonate is a dicarboxylic acid.
chembl: MALONIC ACID DIETHYL ESTER is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Diethyl malonate, also known as DEM, is the diethyl ester of malonic acid. It occurs naturally in grapes and strawberries as a colourless liquid with an apple-like odour, and is used in perfumes.  It is also used to synthesize other compounds such as barbiturates, artificial flavourings, vitamin B1, and vitamin B6.
Compound: DTXSID801025003
SMILES: O1OC(OOC1(C)C)(C)C
InChIKey: SJQITXILEOCXGI-UHFFFAOYSA-N
Synonyms: DTXSID801025003, Tetramethyl-1,2,4,5-tetraoxane, RefChem:1099719, DTXCID201509229, 3,3,6,6-Tetramethyl-1,2,4,5-tetraoxane, 1073-91-2, diacetone diperoxide, Diacetone peroxide, S-Tetroxane, 3,3,6,6-tetramethyl-, SCHEMBL3107279, Tetramethyla1,2,4,5atetraoxane, Diisopropylidene cyclic diperoxide, NS00076589, 3,3,6,6-tetramethyl-[1,2,4,5]tetraoxane, 3,3,6,6-Tetramethyl-[1,2,4,5]tetroxane, 1,2,4,5-Tetroxane, 3,3,6,6-tetramethyl-, 3,3,6,6-Tetramethyl-1,2,4,5-tetraoxane #, 1,2,4,5-Tetraoxacyclohexane, 3,3,6,6-tetramethyl, Q27208791
Theoretical properties:
molecular_formula: C6H12O4
molecular_weight: 148.16 g/mol
exact_mass: 148.07355886 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 0
heavy_atom_count: 10
topological_polar_surface_area: 36.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: Triacetone triperoxide
SMILES: O1OC(OOC(OOC1(C)C)(C)C)(C)C
InChIKey: ZTLXICJMNFREPA-UHFFFAOYSA-N
Synonyms: Triacetone triperoxide, TATP, triacetonetriperoxide, TCAP, 17088-37-8, Acetone peroxide trimer, Acetone triperoxide, TATP cpd, Acetone cyclic triperoxide, 62T938ZGDD, Triisopropylidene cyclic triperoxide, 1,2,4,5,7,8-Hexoxonane, 3,3,6,6,9,9-hexamethyl-, DTXSID4074803, 3,3,6,6,9,9-hexamethyl-1,2,4,5,7,8-hexaoxocyclononane, RefChem:190799, DTXCID9035468, Peroxyacetone, Tri-cyclic acetone peroxide, UNII-62T938ZGDD, 3,3,6,6,9,9-Hexamethyl-1,2,4,5,7,8-hexoxonane, Mother of Satan [Street Name], HSDB 7835, Triacetontriperoxide, Tricycloacetonperoxide, Trimeric acetonperoxide, SCHEMBL3090680, 3,3,6,6,9,9-hexamethyl-1,2,4,5,7,8-hexaoxacyclononane, TRIACETONE TRIPEROXIDE [MI], TRIACETONE TRIPEROXIDE [HSDB], AKOS028108759, NS00127345, Q27206365, 3,3,6,6,9,9-Hexamethyl-1,2,4,5,7,8-hexoxanane, 1,2,4,5,7,8-Hexaoxacyclononane, 3,3,6,6,9,9-hexamethyl, 3,3,6,6,9,9-Hexamethyl-1,2,4,5,7,8-hexa-oxacyclononane
Theoretical properties:
molecular_formula: C9H18O6
molecular_weight: 222.24 g/mol
exact_mass: 222.11033829 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 0
heavy_atom_count: 15
topological_polar_surface_area: 55.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystalline solid
color: Crystalline solid
odor: Terpen-like to odorless, depending on purity of ingredients
melting_point: 98 °C
density: 1.22 g/cu cm
solubility: Soluble in toluene, chloroform, acetone, dichloromethane, methanol
Descriptions:
wikipedia: Acetone peroxide (  also called APEX and mother of Satan) is an organic peroxide and a primary explosive. It is produced by the reaction of acetone, hydrogen peroxide and a strong acidic catalyst to yield a mixture of linear monomer and cyclic dimer, trimer, and tetramer forms. The monomer is dimethyldioxirane.  The dimer is known as  diacetone diperoxide (DADP). The trimer is known as triacetone triperoxide (TATP) or tri-cyclic acetone peroxide (TCAP). Acetone peroxide takes the form of a white crystalline powder with a distinctive bleach-like odor when impure, or a fruit-like smell when pure, and can explode powerfully if subjected to heat, friction, static electricity, concentrated sulfuric acid, strong UV radiation, or shock. Until about 2015, explosives detectors were not set to detect non-nitrogenous explosives, as most explosives used preceding 2015 were nitrogen-based. TATP, being nitrogen-free, has been used as the explosive of choice in several terrorist bomb attacks since 2001.
SMILES: C1(=C(CCCC1(C)C)C)/C=C/C(=C\C=C\C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)\C)/C
InChIKey: OENHQHLEOONYIE-LZMNTPPDSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A cyclic carotene obtained by dimerisation of <i>all</i>-<i>trans</i>-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid.
SMILES: C1(=C(CCCC1(C)C)C)/C=C/C(=C\C=C\C(=C/C=C/C=C(/C=C/C=C(\C=CC2C(=CCCC2(C)C)C)/C)\C)\C)/C
InChIKey: ANVAOWXLWRTKGA-CRDYQPKOSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A cyclic carotene with a β- and an ε-ring at opposite ends respectively.
Compound: Decarbofuran
SMILES: O=C(Oc1c2OC(C)Cc2ccc1)NC
InChIKey: JTBBRGSSVACAJM-UHFFFAOYSA-N
Synonyms: Decarbofuran, 1563-67-3, Z95M6C5LT0, 2,3-Dihydro-2-methyl-7-benzofuranyl methylcarbamate, BAY-62863, 2,3-Dihydro-2-methyl-7-benzofuranol methylcarbamate, 7-Benzofuranol, 2,3-dihydro-2-methyl-, methylcarbamate, DTXSID3057985, RefChem:131239, DTXCID1031753, 2-methyl-2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate, Decarbofuran [ISO], (2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate, Bayer 62863, OMS-1094, BAY 48130, BAY 62863, ENT 27,324, UNII-Z95M6C5LT0, AI3-27324, A 468, C 1120, CARBAMIC ACID, METHYL-, 2,3-DIHYDRO-2-METHYL-7-BENZOFURANYL ESTER, SCHEMBL118317, orb1700756, (2-methyl-2,3-dihydrobenzo[b]furan-7-yl)n-methylcarbamate, JTBBRGSSVACAJM-UHFFFAOYSA-N, 7-Benzofuranol, 2,3-dihydro-2-methyl-, methylcarbamate (9CI), rac-(2R)-2-methyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate, AKOS030567348, NS00122659, 2-Methyl-2,3-dihydrobenzofuran-7-yl methylcarbamate, Q27295173, (2-Methyl-2,3-dihydro-1-benzofuran-7-yl)n-methylcarbamate, 7-Benzofuranol, 2,3-dihydro-2-methyl-, 7-(methylcarbamate), 2-Methyl-2,3-dihydro-1-benzofuran-7-yl hydrogen methylcarbonimidate
Theoretical properties:
molecular_formula: C11H13NO3
molecular_weight: 207.23 g/mol
exact_mass: 207.08954328 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 15
topological_polar_surface_area: 47.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: This is a list of insecticides. These are chemical compounds which have been registered as insecticides. Biological insecticides are not included. The names on the list are the ISO common names. A complete list of pesticide common names is published by the BCPC. The University of Hertfordshire maintains a database of the chemical and biological properties of these materials, including their brand names and the countries and dates where and when they have been introduced. The industry-sponsored Insecticide Resistance Action Committee (IRAC) advises on the use of insecticides in crop protection and classifies the available compounds according to their chemical classes and mechanism of action so as to manage the risks of pesticide resistance developing. The 2024 IRAC poster of insecticide modes of action includes the majority of chemicals listed below. The pesticide manual provides much information on pesticides. The British Crop Production Council also publishes information on ISO common names of new insecticides.
Many of the insecticides in the list are not in use. The developer of a pesticide applies for a common name when they intend to sell it, but some nevertheless do not reach the market. Many insecticides have been banned or otherwise withdrawn from the market over the decades.
Compound: Dinitrogen pentaoxide
SMILES: O=[N+](O[N+](=O)[O-])[O-]
InChIKey: ZWWCURLKEXEFQT-UHFFFAOYSA-N
Synonyms: Dinitrogen pentaoxide, Nitrogen pentoxide, 10102-03-1, Nitrogen oxide (N2O5), Nitric anhydride, 6XB659ZX2W, CHEBI:29802, DTXSID90143672, RefChem:6067, DTXCID0066163, 233-264-2, Dinitrogen pentoxide, nitro nitrate, N2O5, dinitrooxidane, nitroether, UNII-6XB659ZX2W, Distickstoffpentoxid, EINECS 233-264-2, Salpetersaeureanhydrid, O2NONO2, SCHEMBL78281, mu-oxido-bis(dioxidonitrogen), NITROGEN PENTOXIDE [MI], Q408458, 1,1,3,3-Tetraoxo-1lambda~5~,3lambda~5~-diazoxane
Theoretical properties:
molecular_formula: N2O5
molecular_weight: 108.01 g/mol
exact_mass: 107.98072110 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 0
heavy_atom_count: 7
topological_polar_surface_area: 101 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Dinitrogen pentaoxide is a nitrogen oxide.
wikipedia: Dinitrogen pentoxide (also known as nitrogen pentoxide or nitric anhydride) is the chemical compound with the formula N2O5. It is one of the binary nitrogen oxides, a family of compounds that contain only nitrogen and oxygen. It exists as colourless crystals that sublime slightly above room temperature, yielding a colorless gas.
Dinitrogen pentoxide is an unstable and potentially dangerous oxidizer that once was used as a reagent when dissolved in chloroform for nitrations but has largely been superseded by nitronium tetrafluoroborate (NO2BF4).
N2O5 is a rare example of a compound that adopts two structures depending on the conditions. The solid is a salt, nitronium nitrate, consisting of separate nitronium cations [NO2]+ and nitrate anions [NO3]−; but in the gas phase and under some other conditions it is a covalently-bound molecule.
Compound: ammonium hydroxide
SMILES: [OH-].[NH4+]
InChIKey: VHUUQVKOLVNVRT-UHFFFAOYSA-N
Synonyms: ammonium hydroxide, 1336-21-6, Ammonia water, Ammonia aqueous, Aquammonia, Ammonia, aqua, Household ammonia, Ammonia, monohydrate, Ammonia water 29%, NH4OH, SX 1 (ammonia water), Ammonium hydroxide ((NH4)(OH)), DTXSID4020080, CHEBI:18219, Hydroxide, Ammonium, RefChem:6613, DTXCID8080, 921-933-8, Ammonium hydrate, Ammoniumhydroxid, MFCD00066650, Caswell No. 044, ammoniumhydroxide, Ammonia, aqueous, SX 1, Ammonia water [JAN], HSDB 5125, EINECS 215-647-6, UN2672, UN3318, EPA Pesticide Chemical Code 005301, ammoniaque, ammonia hydrate, water ammonia, ammonium hydoxide, ammonium hydroxid, ammonium hyroxide, amonium hydroxide, agua de amoniaco, ammonium hydorxide, amrnonium hydroxide, hidroxido de amonio, NH3 water, water NH3, hydroxyde d'ammonium, UN2073, Ammonium aqueous (28% or less NH3), AMINE HYDRATE, Ammonia solution 25%, Ammonium hydroxide (28% or less ammonia), Ammonia water (JP18), EC 215-647-6, NH3 H2O, NH3-H2O, NH3.H2O, Ammonium hydroxide, 25% NH3, Ammonia (ammonium hydroxide) 28% by weight or more NH3, VHUUQVKOLVNVRT-UHFFFAOYSA-N, AKOS015903971, AKOS030228272, E527, NS00075653, C01358, D04594, USP Solution Ammonia (Ammonium Hydroxide) TS Conforms to USP, Ammonia Water; Ammonia, Aqua; Ammonia, Monohydrate; Aqua AmmoniaSX 1; SX 1 (Ammonia Water);
Theoretical properties:
molecular_formula: H5NO
molecular_weight: 35.046 g/mol
exact_mass: 35.037113783 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 2
topological_polar_surface_area: 2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 2
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Intense, pungent, suffocating odor
boiling_point: 38 °C (25%)
melting_point: -58 °C (25%)
density: About 0.90 @ 25 °C/25 °C
solubility: Exists only in solution
vapor_pressure: 2160 mm Hg @ 25 °C
Descriptions:
pubchem: Ammonium hydroxide is a solution of ammonia in water. It has a role as a food acidity regulator.
chebi: A solution of ammonia in water.
wikipedia: Ammonia solution is a solution of ammonia in water. Alternatively, it is known as ammonia water, ammonium hydroxide, ammoniacal liquor, ammonia liquor, liquid ammonia, aqua ammonia, aqueous ammonia, or (inaccurately, nevertheless commonly referred to as) simply ammonia.  It can be denoted by the symbols NH3(aq).  Although the name ammonium hydroxide suggests a salt with the composition [NH+4][OH−], it is impossible to isolate samples of NH4OH. The ions NH+4 and OH− do not account for a significant fraction of the total amount of ammonia except in extremely dilute solutions.
The concentration of such solutions is measured in units of the Baumé scale (density), with 26 degrees Baumé (about 30% of ammonia by weight at 15.5 °C or 59.9 °F) being the typical high-concentration commercial product.