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CHEBI:132878 - benfluralin

ChEBI IDCHEBI:132878
ChEBI Namebenfluralin
Stars
DefinitionA 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compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group.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.
Last Modified9 June 2017
SubmitterBarrie Walker
DownloadsMolfile
FormulaC13H16F3N3O4
Net Charge0
Average Mass335.282
Monoisotopic Mass335.10929
SMILESCCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=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
InChIKeySMDHCQAYESWHAE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
herbicide  A substance used to destroy plant pests.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
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  Source
N-butyl-N-ethyl-α,α,α-trifluoro-2,6-dinitro-p-toluidineAlan Wood's Pesticides
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamineAlan Wood's Pesticides
benfluralineChemIDplus
benefinSUBMITTER
bethrodineSUBMITTER
α,α,α-trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidineChemIDplus
Manual XrefsDatabases
BenfluralinWikipedia
benfluralinAlan Wood's Pesticides
US3257190Patent
US2011152098Patent
WO2011075562Patent
62PPDB
Registry NumbersSources
Reaxys:2821329Reaxys
CAS:1861-40-1ChemIDplus
CAS:1861-40-1Alan Wood's Pesticides
CAS:1861-40-1NIST Chemistry WebBook
Citations