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compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group.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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C13H16F3N3O4 Net Charge 0 Average Mass 335.280 Monoisotopic Mass 335.10929 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. View more via ChEBI Ontology 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 Type Source 25216471 PubMed citation Europe PMC Last Modified 09 June 2017