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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C3H5BrO Net Charge 0 Average Mass 136.97520 Monoisotopic Mass 135.95238 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. View more via ChEBI Ontology 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 Manual Xref Database Bromoacetone Wikipedia View more database links 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