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InChI=1S/CH4O/c1-2/h2H,1H3
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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.
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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
169.97311
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.
View more via ChEBI Ontology
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
Manual Xref
Database
Benzyl_bromide
Wikipedia
View more database links
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
Types
Sources
22772355
PubMed citation
Europe PMC
23795619
PubMed citation
Europe PMC
Last Modified
27 March 2014