Synonyms: "benzol", "benzole", "cyclohexatriene", "pyrobenzole", "benzine", "phenyl hydride", "pyrobenzol", "phene", "mineral naphtha"

Source: benzene is used in the manufacturing of other chemicals, including: nylon, polystyrene, pesticides, gasoline.


IUPAC Name: benzene
CAS Number: 71-43-2
PubChem ID: 241
Canonical SMILES: C1=CC=CC=C1

Structural Properties:

Molecular Formula: C6H6
Molecular Weight: 78,1118

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 6


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Toxicological Information

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)


CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Brown-Woodman PD, Webster WS, Picker K, Huq F. 1994. In vitro assessment of individual and interactive effects of aromatic hydrocarbons on embryonic development of the rat. Reprod Toxicol 8(2):121-135.
Wierda D, King A, Luebke R, Reasor M, Smialowicz R. 1989. Perinatal immunotoxicology of benzene toward mouse B cell development. Journal of the American College of Toxicology 8(5):981-996.

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