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CHEBI:64206 - bromochloroacetic acid

ChEBI IDCHEBI:64206
ChEBI Namebromochloroacetic acid
Stars
DefinitionA monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5°C), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.
Last Modified1 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC2H2BrClO2
Net Charge0
Average Mass173.393
Monoisotopic Mass171.89267
SMILESO=C(O)C(Cl)Br
InChIInChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKeyGEHJBWKLJVFKPS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
bromochloroacetic acid (CHEBI:64206) is a 2-bromocarboxylic acid (CHEBI:134367)
bromochloroacetic acid (CHEBI:64206) is a monocarboxylic acid (CHEBI:25384)
bromochloroacetic acid (CHEBI:64206) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
bromo(chloro)acetic acid
Synonyms  Source
chlorobromoacetic acidChemIDplus
BrCH(Cl)CO2HChEBI
BrCH(Cl)COOHChEBI
bromochloroethanoic acidChEBI
Manual XrefsDatabases
C19212KEGG COMPOUND
Registry NumbersSources
Reaxys:1720556Reaxys
CAS:5589-96-8ChemIDplus
CAS:5589-96-8KEGG COMPOUND
Citations