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CHEBI:3179 - bromobenzene

ChEBI IDCHEBI:3179
ChEBI Namebromobenzene
Stars
DefinitionThe 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.
Last Modified15 December 2016
DownloadsMolfile
FormulaC6H5Br
Net Charge0
Average Mass157.010
Monoisotopic Mass155.95746
SMILESBrc1ccccc1
InChIInChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyQARVLSVVCXYDNA-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Biological Roles:
hepatotoxic agent  A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Application:
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
BromobenzeneKEGG COMPOUND
MonobromobenzeneChemIDplus
Phenyl bromideChemIDplus
C6H5BrChEBI
PhBrChEBI
Manual XrefsDatabases
C11036KEGG COMPOUND
BromobenzeneWikipedia
BROMOBENZENEMetaCyc
Registry NumbersSources
Reaxys:1236661Reaxys
CAS:108-86-1KEGG COMPOUND
Citations