isoxadifen (CHEBI:132496)

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ChEBI Name	isoxadifen

ChEBI ID	CHEBI:132496

Definition	An isoxazoline that is 4,5-dihydro-1,2-oxazole-3-carboxylic acid in which both of the hydrogens at position 5 have been replaced by phenyl groups.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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C16H13NO3

Net Charge

Average Mass

267.280

Monoisotopic Mass

267.08954

InChI

InChI=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)

InChIKey

ITGSCCPVERXFGN-UHFFFAOYSA-N

SMILES

O1N=C(CC1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Application(s):	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	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	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	Sources
4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid	ChemIDplus
4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylic acid	Alan Wood's Pesticides
5,5-diphenyl-2-isoxazoline-3-carboxylic acid	ChEBI
isoxadifène	ChEBI

Last Modified

08 July 2016