CHEBI:81951 - benazolin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benazolin
ChEBI ID CHEBI:81951
Definition A member of the class of benzothiazoles that is 4-chloro-1,3-benzothiazol-2(3H)-one which is substituted on the nitrogen by a carboxymethyl group and at position 4 by chlorine. A post-emergence herbicide used (generally as a salt or ester) for the control of annual weeds in wheat and oilseed rape. It is not approved for use with the European Union.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H6ClNO3S
Net Charge 0
Average Mass 243.668
Monoisotopic Mass 242.976
InChI InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)
InChIKey HYJSGOXICXYZGS-UHFFFAOYSA-N
SMILES C1=CC(=C2C(=C1)SC(N2CC(=O)O)=O)Cl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): synthetic auxin
A synthetic compound exhibiting auxin activity.
Application(s): herbicide
A substance used to destroy plant pests.
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organochlorine pesticide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing benazolin (CHEBI:81951) has role herbicide (CHEBI:24527)
benazolin (CHEBI:81951) has role synthetic auxin (CHEBI:26841)
benazolin (CHEBI:81951) is a benzothiazoles (CHEBI:37947)
benazolin (CHEBI:81951) is a monocarboxylic acid (CHEBI:25384)
benazolin (CHEBI:81951) is a organochlorine pesticide (CHEBI:38656)
benazolin (CHEBI:81951) is conjugate acid of benazolin(1−) (CHEBI:132890)
Incoming benazolin-ethyl (CHEBI:132897) has functional parent benazolin (CHEBI:81951)
benazolin(1−) (CHEBI:132890) is conjugate base of benazolin (CHEBI:81951)
IUPAC Name
(4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid
Synonyms Sources
4-chloro-2,3-dihydro-2-oxo-1,3-benzothiazol-3-ylacetic acid Alan Wood's Pesticides
4-chloro-2-oxo-3(2H)-benzothiazoleacetic acid Alan Wood's Pesticides
4-chloro-2-oxobenzothiazolin-3-ylacetic acid ChemIDplus
bénazoline ChEBI
Manual Xrefs Databases
60 PPDB
benazolin Alan Wood's Pesticides
C18775 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3813-05-6 CAS Registry Number ChemIDplus
3813-05-6 CAS Registry Number Alan Wood's Pesticides
749788 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17240026 PubMed citation Europe PMC
17867883 PubMed citation Europe PMC
Last Modified
24 August 2017