CHEBI:138287 - pyraflufen

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pyraflufen
ChEBI ID CHEBI:138287
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H9Cl2F3N2O4
Net Charge 0
Average Mass 385.123
Monoisotopic Mass 383.98915
InChI InChI=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)
InChIKey YXIIPOGUBVYZIW-UHFFFAOYSA-N
SMILES C1(=C(C=C(C(=C1)OCC(O)=O)Cl)F)C2=NN(C(=C2Cl)OC(F)F)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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).
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 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 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 Sources
2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetic acid Alan Wood's Pesticides
[2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetic acid Alan Wood's Pesticides
pyraflufène ChEBI
Manual Xref Database
1558 PPDB
View more database links
Registry Numbers Types Sources
11322210 Reaxys Registry Number Reaxys
129630-17-7 CAS Registry Number ChemIDplus
129630-17-7 CAS Registry Number Alan Wood's Pesticides
Last Modified
22 August 2017