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CHEBI:51845 - bromoacetone

ChEBI IDCHEBI:51845
ChEBI Namebromoacetone
Stars
DefinitionAn 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.
Last Modified14 June 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC3H5BrO
Net Charge0
Average Mass136.976
Monoisotopic Mass135.95238
SMILESCC(=O)CBr
InChIInChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3
InChIKeyVQFAIAKCILWQPZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
lachrymator  Any substance that stimulates the corneal nerves in the eves to cause tears.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-Bromo-2-propanoneChemIDplus
α-BromoacetoneNIST Chemistry WebBook
Acetonyl bromideChemIDplus
Bromomethyl methyl ketoneChemIDplus
MonobromoacetoneChemIDplus
Manual XrefsDatabases
BromoacetoneWikipedia
Registry NumbersSources
Reaxys:741886Reaxys
CAS:598-31-2ChemIDplus
CAS:598-31-2NIST Chemistry WebBook