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CHEBI:35027 - trifluralin

ChEBI IDCHEBI:35027
ChEBI Nametrifluralin
Stars
DefinitionA 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.
Last Modified17 November 2014
DownloadsMolfile
FormulaC13H16F3N3O4
Net Charge0
Average Mass335.282
Monoisotopic Mass335.10929
SMILESCCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=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
InChIKeyZSDSQXJSNMTJDA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Biological Role:
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.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
α,α,α-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidineNIST Chemistry WebBook
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamineNIST Chemistry WebBook
Manual XrefsDatabases
C14343KEGG COMPOUND
TrifluralinWikipedia
trifluralinAlan Wood's Pesticides
667PPDB
Registry NumbersSources
Reaxys:1893555Reaxys
CAS:1582-09-8KEGG COMPOUND
CAS:1582-09-8NIST Chemistry WebBook
CAS:1582-09-8ChemIDplus
Citations