CHEBI:59858 - benzyl bromide

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ChEBI Name benzyl bromide
ChEBI ID CHEBI:59858
Definition A member of the class of benzyl bromides that is toluene substituted on the α-carbon with bromine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H7Br
Net Charge 0
Average Mass 171.03400
Monoisotopic Mass 169.973
InChI InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey AGEZXYOZHKGVCM-UHFFFAOYSA-N
SMILES BrCc1ccccc1
Roles Classification
Biological Role(s): lachrymator
Any substance that stimulates the corneal nerves in the eves to cause tears.
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ChEBI Ontology
Outgoing benzyl bromide (CHEBI:59858) has role lachrymator (CHEBI:74136)
benzyl bromide (CHEBI:59858) is a benzyl bromides (CHEBI:59857)
IUPAC Name
(bromomethyl)benzene
Synonyms Sources
α-bromotoluene ChemIDplus
Bromophenylmethane ChemIDplus
Phenylmethyl bromide ChemIDplus
Database Link Database
Benzyl_bromide Wikipedia
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Registry Numbers Types Sources
100-39-0 CAS Registry Number NIST Chemistry WebBook
100-39-0 CAS Registry Number ChemIDplus
358801 Beilstein Registry Number Beilstein
385801 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22772355 PubMed citation Europe PMC
23795619 PubMed citation Europe PMC
Last Modified
27 March 2014