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chloroacetic acid (CHEBI:27869)

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ChEBI Name chloroacetic acid
ChEBI ID CHEBI:27869
Definition An organochlorine compound comprising acetic acid carrying a 2-chloro substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3622, CHEBI:23125
Supplier Information
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Formula Source
C2H3ClO2 ChEBI
Net Charge 0
Average Mass 94.49700
InChI
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey
FOCAUTSVDIKZOP-UHFFFAOYSA-N
SMILES
OC(=O)CCl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing chloroacetic acid (CHEBI:27869) has functional parent acetic acid (CHEBI:15366)
chloroacetic acid (CHEBI:27869) is a monocarboxylic acid (CHEBI:25384)
chloroacetic acid (CHEBI:27869) is a organochlorine compound (CHEBI:36683)
chloroacetic acid (CHEBI:27869) is conjugate acid of chloroacetate (CHEBI:23123)
Incoming N-[(5-acetyl-3-thienyl)methyl]-2-chloroacetamide semicarbazone (CHEBI:75056) has functional parent chloroacetic acid (CHEBI:27869)
chloroacetate (CHEBI:23123) is conjugate base of chloroacetic acid (CHEBI:27869)
chloroacetyl group (CHEBI:60669) is substituent group from chloroacetic acid (CHEBI:27869)
IUPAC Name
chloroacetic acid
Synonyms Sources
2-chloroacetic acid ChEBI
Acide chloracetique ChemIDplus
Acide chloroacetique ChemIDplus
Acide monochloracetique ChemIDplus
α-chloro-acetic acid ChEBI
CAA ChEBI
chloracetic acid NIST Chemistry WebBook
Chloroacetic acid KEGG COMPOUND
Chloroethanoic acid KEGG COMPOUND
Monochloressigsäure ChemIDplus
monochloroacetic acid NIST Chemistry WebBook
monochloroethanoic acid NIST Chemistry WebBook
Database Links Databases
C06755 KEGG COMPOUND
CHLOROACETIC-ACID MetaCyc
D07677 KEGG DRUG
View more database links
Registry Numbers Types Sources
605438 Reaxys Registry Number Reaxys
79-11-8 CAS Registry Number KEGG COMPOUND
79-11-8 CAS Registry Number ChemIDplus
79-11-8 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
12359395 PubMed citation CiteXplore
15033542 PubMed citation CiteXplore
16647117 PubMed citation CiteXplore
17490874 PubMed citation CiteXplore
General Comment
2011-03-25 An organic synthesis catalyst with mutagenic properties. A common phytotoxic aquatic contaminant, it is also a hepatocarcinogenic contaminant of the environmental pollutant trichloroethylene.
 
Last Modified
02 August 2013

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