trifluralin (CHEBI:35027)

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ChEBI Name	trifluralin

ChEBI ID	CHEBI:35027

Definition	A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide.

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

Supplier Information	ChemicalBook:CB2344612, eMolecules:497146, ZINC000003873953

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Formula

C13H16F3N3O4

Net Charge

Average Mass

335.27900

Monoisotopic Mass

335.10929

InChI

InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3

InChIKey

ZSDSQXJSNMTJDA-UHFFFAOYSA-N

SMILES

CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	herbicide A substance used to destroy plant pests. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology
Outgoing	trifluralin (CHEBI:35027) has role agrochemical (CHEBI:33286) trifluralin (CHEBI:35027) has role environmental contaminant (CHEBI:78298) trifluralin (CHEBI:35027) has role herbicide (CHEBI:24527) trifluralin (CHEBI:35027) has role xenobiotic (CHEBI:35703) trifluralin (CHEBI:35027) is a (trifluoromethyl)benzenes (CHEBI:83565) trifluralin (CHEBI:35027) is a C-nitro compound (CHEBI:35716) trifluralin (CHEBI:35027) is a substituted aniline (CHEBI:48975)

IUPAC Name

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

Synonyms	Sources
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine	NIST Chemistry WebBook
α,α,α-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine	NIST Chemistry WebBook

Last Modified

17 November 2014