CHEBI:16716 - benzene

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ChEBI Name benzene
ChEBI ID CHEBI:16716
Definition A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised π 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41187, CHEBI:3025, CHEBI:13876, CHEBI:22703
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Formula C6H6
Net Charge 0
Average Mass 78.11184
Monoisotopic Mass 78.047
InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey UHOVQNZJYSORNB-UHFFFAOYSA-N
SMILES c1ccccc1
Roles Classification
Chemical Role(s): non-polar solvent

environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application(s): non-polar solvent

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ChEBI Ontology
Outgoing benzene (CHEBI:16716) has role carcinogenic agent (CHEBI:50903)
benzene (CHEBI:16716) has role environmental contaminant (CHEBI:78298)
benzene (CHEBI:16716) has role non-polar solvent (CHEBI:48355)
benzene (CHEBI:16716) is a aromatic annulene (CHEBI:33842)
benzene (CHEBI:16716) is a benzenes (CHEBI:22712)
benzene (CHEBI:16716) is a volatile organic compound (CHEBI:134179)
Incoming nitrosobenzene (CHEBI:27986) has functional parent benzene (CHEBI:16716)
1,2-phenylenediamine (CHEBI:34043) has parent hydride benzene (CHEBI:16716)
alkylbenzene (CHEBI:38976) has parent hydride benzene (CHEBI:16716)
IUPAC Name
benzene
Synonyms Sources
[6]annulene NIST Chemistry WebBook
Benzen IUPAC
Benzene KEGG COMPOUND
BENZENE PDBeChem
benzene UniProt
benzène ChEBI
Benzine UM-BBD
Benzol ChemIDplus
benzole NIST Chemistry WebBook
Bicarburet of hydrogen ChemIDplus
Coal naphtha ChemIDplus
cyclohexatriene UM-BBD
Mineral naphtha ChemIDplus
Phene ChemIDplus
phenyl hydride UM-BBD
Pyrobenzol ChemIDplus
Pyrobenzole ChemIDplus
Database Links Databases
Benzene Wikipedia
BNZ PDBeChem
C01407 KEGG COMPOUND
c0142 UM-BBD
HMDB0001505 HMDB
View more database links
Registry Numbers Types Sources
1671 Gmelin Registry Number Gmelin
71-43-2 CAS Registry Number KEGG COMPOUND
71-43-2 CAS Registry Number ChemIDplus
71-43-2 CAS Registry Number NIST Chemistry WebBook
969212 Beilstein Registry Number Beilstein
969212 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
15 December 2016