CHEBI:132878 - benfluralin

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ChEBI Name benfluralin
ChEBI ID CHEBI:132878
Definition A tertiany amino compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group. It is used as a pre-emergence herbicide used for the control of grass and other weeds in a range of food and non-food crops.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Barrie Walker
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Formula C13H16F3N3O4
Net Charge 0
Average Mass 335.280
Monoisotopic Mass 335.109
InChI InChI=1S/C13H16F3N3O4/c1-3-5-6-17(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 SMDHCQAYESWHAE-UHFFFAOYSA-N
SMILES C=1(C(=C(C=C(C1)C(F)(F)F)[N+](=O)[O-])N(CCCC)CC)[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 benfluralin (CHEBI:132878) has role agrochemical (CHEBI:33286)
benfluralin (CHEBI:132878) has role herbicide (CHEBI:24527)
benfluralin (CHEBI:132878) is a C-nitro compound (CHEBI:35716)
benfluralin (CHEBI:132878) is a organofluorine compound (CHEBI:37143)
benfluralin (CHEBI:132878) is a substituted aniline (CHEBI:48975)
benfluralin (CHEBI:132878) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Synonyms Sources
α,α,α-trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine ChemIDplus
benefin SUBMITTER
benfluraline ChemIDplus
bethrodine SUBMITTER
EL-110 ChemIDplus
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine Alan Wood's Pesticides
N-butyl-N-ethyl-α,α,α-trifluoro-2,6-dinitro-p-toluidine Alan Wood's Pesticides
Manual Xrefs Databases
62 PPDB
benfluralin Alan Wood's Pesticides
Benfluralin Wikipedia
US2011152098 Patent
US3257190 Patent
WO2011075562 Patent
View more database links
Registry Numbers Types Sources
1861-40-1 CAS Registry Number Alan Wood's Pesticides
1861-40-1 CAS Registry Number NIST Chemistry WebBook
1861-40-1 CAS Registry Number ChemIDplus
2821329 Reaxys Registry Number Reaxys
2821329 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
25216471 PubMed citation Europe PMC
Last Modified
09 June 2017