CHEBI:3179 - bromobenzene

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ChEBI Name bromobenzene
ChEBI ID CHEBI:3179
Definition The simplest member of the class of bromobenzenes, that is benzene in which a single hydrogen has been substituted by a bromine. A liquid at room temperature (m.p. −30°C; b.p.760 156°C), it is used as a solvent, particularly for large-scale crystallisations, and for the introduction of phenyl groups in organic synthesis.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H5Br
Net Charge 0
Average Mass 157.00790
Monoisotopic Mass 155.957
InChI InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
InChIKey QARVLSVVCXYDNA-UHFFFAOYSA-N
SMILES Brc1ccccc1
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): non-polar solvent

Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
hepatotoxic agent
A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.
Application(s): non-polar solvent

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ChEBI Ontology
Outgoing bromobenzene (CHEBI:3179) has role hepatotoxic agent (CHEBI:50908)
bromobenzene (CHEBI:3179) has role mouse metabolite (CHEBI:75771)
bromobenzene (CHEBI:3179) has role non-polar solvent (CHEBI:48355)
bromobenzene (CHEBI:3179) is a bromoarene (CHEBI:37148)
bromobenzene (CHEBI:3179) is a bromobenzenes (CHEBI:37149)
bromobenzene (CHEBI:3179) is a volatile organic compound (CHEBI:134179)
Incoming (4-bromophenylsulfanyl)pyruvate (CHEBI:17468) has functional parent bromobenzene (CHEBI:3179)
(4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) has functional parent bromobenzene (CHEBI:3179)
IUPAC Name
bromobenzene
Synonyms Sources
Bromobenzene KEGG COMPOUND
C6H5Br ChEBI
Monobromobenzene ChemIDplus
PhBr ChEBI
Phenyl bromide ChemIDplus
Database Links Databases
Bromobenzene Wikipedia
BROMOBENZENE MetaCyc
C11036 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
108-86-1 CAS Registry Number KEGG COMPOUND
1236661 Beilstein Registry Number Beilstein
1236661 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10996478 PubMed citation Europe PMC
24318069 PubMed citation Europe PMC
Last Modified
15 December 2016