CHEBI:51845 - bromoacetone

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ChEBI Name bromoacetone
ChEBI ID CHEBI:51845
Definition An α-bromoketone that is acetone in which one of the hydrogens is replaced by a bromine atom. A poweful lachrymator, it was formerly used as a chemical weapon.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C3H5BrO
Net Charge 0
Average Mass 136.97520
Monoisotopic Mass 135.952
InChI InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3
InChIKey VQFAIAKCILWQPZ-UHFFFAOYSA-N
SMILES CC(=O)CBr
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 bromoacetone (CHEBI:51845) has functional parent acetone (CHEBI:15347)
bromoacetone (CHEBI:51845) has role lachrymator (CHEBI:74136)
bromoacetone (CHEBI:51845) is a α-bromoketone (CHEBI:51843)
IUPAC Name
1-bromopropan-2-one
Synonyms Sources
1-Bromo-2-propanone ChemIDplus
Acetonyl bromide ChemIDplus
α-Bromoacetone NIST Chemistry WebBook
Bromomethyl methyl ketone ChemIDplus
Monobromoacetone ChemIDplus
Database Link Database
Bromoacetone Wikipedia
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Registry Numbers Types Sources
598-31-2 CAS Registry Number NIST Chemistry WebBook
598-31-2 CAS Registry Number ChemIDplus
741886 Beilstein Registry Number Beilstein
741886 Reaxys Registry Number Reaxys
Last Modified
14 June 2013