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CHEBI:138287 - pyraflufen

ChEBI IDCHEBI:138287
ChEBI Namepyraflufen
Stars
DefinitionA monocarboxylic acid that is 2-chloro-4-fluorophenylacetic acid in which the phenyl group is substituted at position 5 by a 4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl group. A protoporphyrinogen oxidase inhibitor, it is used (usually as the corresponding ethyl ester proherbicide, pyraflufen-ethyl) for the control of broad-leaved weeds and grasses in a variety of crops.
Last Modified22 August 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H9Cl2F3N2O4
Net Charge0
Average Mass385.125
Monoisotopic Mass383.98915
SMILESCn1nc(-c2cc(OCC(=O)O)c(Cl)cc2F)c(Cl)c1OC(F)F
InChIInChI=1S/C13H9Cl2F3N2O4/c1-20-12(24-13(17)18)10(15)11(19-20)5-2-8(23-4-9(21)22)6(14)3-7(5)16/h2-3,13H,4H2,1H3,(H,21,22)
InChIKeyYXIIPOGUBVYZIW-UHFFFAOYSA-N
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)
pyraflufen (CHEBI:138287) has role agrochemical (CHEBI:33286)
pyraflufen (CHEBI:138287) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
pyraflufen (CHEBI:138287) has role herbicide (CHEBI:24527)
pyraflufen (CHEBI:138287) is a aromatic ether (CHEBI:35618)
pyraflufen (CHEBI:138287) is a biaryl (CHEBI:64459)
pyraflufen (CHEBI:138287) is a monocarboxylic acid (CHEBI:25384)
pyraflufen (CHEBI:138287) is a monochlorobenzenes (CHEBI:83403)
pyraflufen (CHEBI:138287) is a monofluorobenzenes (CHEBI:83575)
pyraflufen (CHEBI:138287) is a pyrazoles (CHEBI:26410)
Incoming Relation(s)
pyraflufen-ethyl (CHEBI:81828) has functional parent pyraflufen (CHEBI:138287)
IUPAC Name 
{2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetic acid
Synonyms  Source
2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetic acidAlan Wood's Pesticides
pyraflufèneChEBI
[2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetic acidAlan Wood's Pesticides
Manual XrefsDatabases
1558PPDB
Registry NumbersSources
Reaxys:11322210Reaxys
CAS:129630-17-7Alan Wood's Pesticides
CAS:129630-17-7ChemIDplus