CHEBI:81951 - benazolin

ChEBI IDCHEBI:81951
ChEBI Namebenazolin
Stars
DefinitionA 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.
Last Modified24 August 2017
DownloadsMolfile
FormulaC9H6ClNO3S
Net Charge0
Average Mass243.671
Monoisotopic Mass242.97569
SMILESO=C(O)Cn1c(=O)sc2cccc(Cl)c21
InChIInChI=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)
InChIKeyHYJSGOXICXYZGS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
Applications:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
bénazolineChEBI
4-chloro-2,3-dihydro-2-oxo-1,3-benzothiazol-3-ylacetic acidAlan Wood's Pesticides
4-chloro-2-oxo-3(2H)-benzothiazoleacetic acidAlan Wood's Pesticides
4-chloro-2-oxobenzothiazolin-3-ylacetic acidChemIDplus
Manual XrefsDatabases
C18775KEGG COMPOUND
benazolinAlan Wood's Pesticides
60PPDB
Registry NumbersSources
Reaxys:749788Reaxys
CAS:3813-05-6KEGG COMPOUND
CAS:3813-05-6ChemIDplus
CAS:3813-05-6Alan Wood's Pesticides
Citations