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CHEBI:132496 - isoxadifen

ChEBI IDCHEBI:132496
ChEBI Nameisoxadifen
Stars
DefinitionAn isoxazoline that is 4,5-dihydro-1,2-oxazole-3-carboxylic acid in which both of the hydrogens at position 5 have been replaced by phenyl groups. It is used (particularly as its ethyl ester, known as isoxadifen-ethyl, as a herbicide safener, especially in conjunction with the herbicides fenoxaprop-P-ethyl and iodosulfuron-methyl-sodium.
Last Modified8 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H13NO3
Net Charge0
Average Mass267.284
Monoisotopic Mass267.08954
SMILESO=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C16H13NO3/c18-15(19)14-11-16(20-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)
InChIKeyITGSCCPVERXFGN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
herbicide safener  A compound used with herbicides that reduces the effect of the herbicide on crop plants or otherwise improves the selectivity of the herbicide for weed species over the crop plant.
ChEBI Ontology
Outgoing Relation(s)
isoxadifen (CHEBI:132496) has role herbicide safener (CHEBI:132272)
isoxadifen (CHEBI:132496) is a isoxazoline (CHEBI:87553)
isoxadifen (CHEBI:132496) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
isoxadifen-ethyl (CHEBI:132497) has functional parent isoxadifen (CHEBI:132496)
IUPAC Name 
5,5-diphenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Synonyms  Source
4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acidChemIDplus
5,5-diphenyl-2-isoxazoline-3-carboxylic acidChEBI
4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylic acidAlan Wood's Pesticides
isoxadifèneChEBI
Manual XrefsDatabases
isoxadifenAlan Wood's Pesticides
Registry NumbersSources
Reaxys:11343197Reaxys
CAS:209866-92-2ChemIDplus
CAS:209866-92-2Alan Wood's Pesticides