Compound: benzene
SMILES: c1ccccc1
InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N
Synonyms: benzene, benzol, 71-43-2, Cyclohexatriene, benzole, Pyrobenzole, Benzine, Coal naphtha, Pyrobenzol, Benzen, Phene, Phenyl hydride, Mineral naphtha, Benzolene, Bicarburet of hydrogen, Motor benzol, Benzeen, Benzolo, Fenzen, (6)Annulene, [6]Annulene, Nitration benzene, Benzol 90, NCI-C55276, 1,3,5-cyclohexatriene, Benzine (Obs.), Rcra waste number U019, Benzin (Obs.), Benzinum, DTXSID3039242, CHEBI:16716, AI3-00808, NSC-67315, DTXCID20135, J64922108F, NSC67315, RefChem:6619, HEADACHE INSOMNIA, 200-753-7, Benzin, NSC 67315, UN 1114, C6H6, CHEMBL277500, MFCD00003009, 54682-86-9, phenylmanganese iodide, Benzeen [Dutch], Benzen [Polish], Fenzen [Czech], Benzolo [Italian], BNZ, Caswell No. 077, Benzene 100 microg/mL in Methanol, Benzene, ACS reagent, >=99.0%, Benzene-1,2,3,4,5-d5, Benzene, pure, CCRIS 70, 25053-22-9, HSDB 35, 62485-97-6, EINECS 200-753-7, benzene,iodomanganese(1+), EPA Pesticide Chemical Code 008801, Benzolum, Benzene (including benzene from gasoline), p-benzene, benzene-, 26181-88-4, 1hyz, 1swi, UNII-J64922108F, [6]-annulene, Benzene ACS Grade, Benzene HPLC grade, Benzene, for HPLC, {[6]Annulene}, Ph-H, 2z9g, 4i7j, BENZENE [VANDF], BENZINUM [HPUS], BENZENE [HSDB], BENZENE [IARC], BENZENE (BENZOL), BENZENE [MI], BENZENE [MART.], Benzene, labeled with carbon-14 and tritium, WLN: RH, BENZENE [USP-RS], BENZENE [WHO-DD], SCHEMBL194, SCHEMBL707, 22 - BTEX in Soil, Benzenesulfonic Impurity 1, Epitope ID:116867, Benzene, purification grade, EC 200-753-7, SCHEMBL3052, Benzene, analytical standard, 5 - VOCs, Benzene, LR, >=99%, SCHEMBL28548, SCHEMBL32072, ghl.PD_Mitscher_leg0.503, Benzene, anhydrous, 99.8%, SCHEMBL139666, SCHEMBL184914, SCHEMBL496457, SCHEMBL974264, SCHEMBL1173135, SCHEMBL1173825, SCHEMBL1174221, SCHEMBL2025760, Benzene, AR, >=99.5%, 34J - WFD J, 3,4-DNH, 1l83, 220l, 223l, 7 - VOCs (Perkin Elmer tubes), Benzene 10 microg/mL in Methanol, trans-N-Methylphenylcyclopropylamine, Benzene 20 microg/mL in Triacetin, Benzene, for HPLC, >=99.8%, Benzene, for HPLC, >=99.9%, Tox21_202487, BDBM50167939, MSK001098, STL264205, Benzene 5000 microg/mL in Methanol, Benzene, purum, >=99.0% (GC), 18C - Benzenes, Toluene and Xylenes, AKOS008967253, EBC-431052, MSK001098-100M, Benzene(Discontinued,See C4X-15581), Benzene, SAJ first grade, >=99.0%, CAS-71-43-2, ACETONE IMPURITY C [EP IMPURITY], Benzene [UN1114]  [Flammable liquid], Benzene Solution in Methanol, 100ug/mL, Benzene, JIS special grade, >=99.5%, erythro-Phenyl-2-piperidyl-carbinol,(-), NCGC00090744-01, NCGC00090744-02, NCGC00163890-01, NCGC00163890-02, NCGC00260036-01, trans-N, N-Dimethylphenylcyclopropylamine, Cc-34,(+/-), RNG, 12A. - VOCs - Carbopack X sorbent tubes, Benzene Content (Nominal: 0.62% Volume), DS-002542, B0020, NS00009783, Q0038, Q2270, Benzene 30 microg/mL in N,N-Dimethylacetamide, Benzene, ACS spectrophotometric grade, >=99%, C01407, Benzene, ReagentPlus(R), thiophene free, >=99%, InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6, 12 - VOCs - Tenax TA sorbent tubes (Perkin Elmer), Benzene, puriss. p.a., Reag. Ph. Eur., >=99.7%, Q26841227, BIPERIDEN HYDROCHLORIDE IMPURITY F [EP IMPURITY], Biperiden EP Impurity F; Isopropyl Alcohol EP Impurity B, Benzene, Pharmaceutical Secondary Standard; Certified Reference Material, Benzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)
Theoretical properties:
molecular_formula: C6H6
molecular_weight: 78.11 g/mol
exact_mass: 78.0469501914 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 6
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Clear, colorless liquid
color: Clear, colorless liquid
odor: Aromatic odor
boiling_point: 176.2 °F at 760 mmHg (NTP, 1992)
melting_point: 41.9 °F (NTP, 1992)
density: 0.879 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 1 to 5 mg/mL at 64 °F (NTP, 1992)
flash_point: 12 °F (NTP, 1992)
vapor_pressure: 60 mmHg at 59 °F ; 76 mmHg at 68 °F (NTP, 1992)
Descriptions:
{"pubchem": "Benzene can cause cancer according to California Labor Code. It can cause developmental toxicity and male reproductive toxicity according to an independent committee of scientific and health experts.", "chebi": "A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised \u03c0 system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.", "chembl": "BENZENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.", "wikipedia": "Benzene is an organic chemical compound with the molecular formula C6H6. The benzene molecule is composed of six carbon atoms joined in a planar hexagonal ring with one hydrogen atom attached to each. As it contains only carbon and hydrogen atoms, benzene is a hydrocarbon.\nBenzene is a natural constituent of petroleum and is one of the elementary petrochemicals. Because of the cyclic continuous pi bonds between the carbon atoms and satisfying H\u00fcckel's rule, benzene is classed as an aromatic hydrocarbon. Benzene is a colorless and highly flammable liquid with a sweet smell, and is partially responsible for the aroma of gasoline. It is used primarily as a precursor to the manufacture of chemicals with more complex structures, such as ethylbenzene and cumene, of which billions of kilograms are produced annually. Although benzene is a major industrial chemical, it finds limited use in consumer items because of its toxicity. Benzene is a volatile organic compound.\nBenzene is classified as a carcinogen. Its particular effects on human health, such as the long-term results of accidental exposure, have been reported on by news organizations such as The New York Times. For instance, a 2022 article stated that benzene contamination in the Boston metropolitan area caused hazardous conditions in multiple places, with the publication noting that the compound may eventually cause leukemia in some individuals.\n\n"}