EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73172 - acifluorfen

ChEBI IDCHEBI:73172
ChEBI Nameacifluorfen
Stars
DefinitionA member of the class of benzoic acids that is 2-nitrobenzoic acid in which the hydrogen at position 5 is replaced by a 2-chloro-4-(trifluoromethyl)phenoxy group. It is a herbicide used for the post-emergence control of a variety of annual broadleaf weeds.
Last Modified6 February 2019
SubmitterJohnny Lloyd
DownloadsMolfile
FormulaC14H7ClF3NO5
Net Charge0
Average Mass361.659
Monoisotopic Mass360.99648
SMILESO=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
InChIKeyNUFNQYOELLVIPL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor  An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
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)
acifluorfen (CHEBI:73172) has role agrochemical (CHEBI:33286)
acifluorfen (CHEBI:73172) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
acifluorfen (CHEBI:73172) has role herbicide (CHEBI:24527)
acifluorfen (CHEBI:73172) is a C-nitro compound (CHEBI:35716)
acifluorfen (CHEBI:73172) is a aromatic ether (CHEBI:35618)
acifluorfen (CHEBI:73172) is a benzoic acids (CHEBI:22723)
acifluorfen (CHEBI:73172) is a monocarboxylic acid (CHEBI:25384)
acifluorfen (CHEBI:73172) is a organochlorine compound (CHEBI:36683)
acifluorfen (CHEBI:73172) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
Synonyms  Source
2-nitro-5-(2-chloro-4-(trifluoromethyl)phenoxy)benzoic acidChemIDplus
5-(2-Chloro-α,α,α-trifluoro-p-tolyloxy)-2-nitrobenzoic acidChemIDplus
acifluorfeneChemIDplus
Brand Name  Source
BlazerNIST Chemistry WebBook
Manual XrefsDatabases
EP0706993Patent
AcifluorfenWikipedia
HMDB0037112HMDB
ACIFLUORFENMetaCyc
ACJPDBeChem
819PPDB
C22041KEGG COMPOUND
Registry NumbersSources
Reaxys:2953865Reaxys
CAS:50594-66-6ChemIDplus
CAS:50594-66-6NIST Chemistry WebBook
Citations