CHEBI:64206 - bromochloroacetic acid

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ChEBI Name bromochloroacetic acid
ChEBI ID CHEBI:64206
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C2H2BrClO2
Net Charge 0
Average Mass 173.39300
Monoisotopic Mass 171.89267
InChI InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey GEHJBWKLJVFKPS-UHFFFAOYSA-N
SMILES OC(=O)C(Cl)Br
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
BrCH(Cl)CO2H ChEBI
BrCH(Cl)COOH ChEBI
bromochloroethanoic acid ChEBI
chlorobromoacetic acid ChemIDplus
Manual Xref Database
C19212 KEGG COMPOUND
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Registry Numbers Types Sources
1720556 Reaxys Registry Number Reaxys
5589-96-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10910985 PubMed citation Europe PMC
12075119 PubMed citation Europe PMC
12830896 PubMed citation Europe PMC
15686870 PubMed citation Europe PMC
18075178 PubMed citation Europe PMC
19340096 PubMed citation Europe PMC
20839218 PubMed citation Europe PMC
Last Modified
01 February 2017