CHEBI:35027 - trifluralin

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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.
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Formula C13H16F3N3O4
Net Charge 0
Average Mass 335.27900
Monoisotopic Mass 335.109
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.
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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
Manual Xrefs Databases
667 PPDB
C14343 KEGG COMPOUND
trifluralin Alan Wood's Pesticides
Trifluralin Wikipedia
View more database links
Registry Numbers Types Sources
1582-09-8 CAS Registry Number KEGG COMPOUND
1582-09-8 CAS Registry Number NIST Chemistry WebBook
1582-09-8 CAS Registry Number ChemIDplus
1893555 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21544921 PubMed citation Europe PMC
24584589 PubMed citation Europe PMC
24984475 PubMed citation Europe PMC
25277710 PubMed citation Europe PMC
Last Modified
17 November 2014