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CHEBI:81828 - pyraflufen-ethyl

Default Structure
ChEBI IDCHEBI:81828
ChEBI Namepyraflufen-ethyl
Stars
DefinitionAn ethyl ester resulting from the formal condensation of the carboxy group of pyraflufen with ethanol. A proherbicide for pyraflufen, it is used for the control of broad-leaved weeds and grasses in a variety of crops.
Last Modified22 August 2017
DownloadsMolfile
FormulaC15H13Cl2F3N2O4
Net Charge0
Average Mass413.179
Monoisotopic Mass412.02045
SMILESCCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3
InChIKeyAPTZNLHMIGJTEW-UHFFFAOYSA-N
Roles Classification
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:
proherbicide  A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
pyraflufen-ethyl (CHEBI:81828) has functional parent pyraflufen (CHEBI:138287)
pyraflufen-ethyl (CHEBI:81828) has role agrochemical (CHEBI:33286)
pyraflufen-ethyl (CHEBI:81828) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
pyraflufen-ethyl (CHEBI:81828) has role proherbicide (CHEBI:136646)
pyraflufen-ethyl (CHEBI:81828) is a aromatic ether (CHEBI:35618)
pyraflufen-ethyl (CHEBI:81828) is a biaryl (CHEBI:64459)
pyraflufen-ethyl (CHEBI:81828) is a ethyl ester (CHEBI:23990)
pyraflufen-ethyl (CHEBI:81828) is a monochlorobenzenes (CHEBI:83403)
pyraflufen-ethyl (CHEBI:81828) is a monofluorobenzenes (CHEBI:83575)
pyraflufen-ethyl (CHEBI:81828) is a pyrazoles (CHEBI:26410)
IUPAC Name 
ethyl {2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetate
Synonyms  Source
ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetateAlan Wood's Pesticides
ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetateAlan Wood's Pesticides
Manual XrefsDatabases
565PPDB
C18554KEGG COMPOUND
CN101828555Patent
derivatives/pyraflufen-ethylAlan Wood's Pesticides
Registry NumbersSources
Reaxys:11519423Reaxys
CAS:129630-19-9NIST Chemistry WebBook
CAS:129630-19-9ChemIDplus
CAS:129630-19-9Alan Wood's Pesticides
CAS:129630-19-9KEGG COMPOUND
Citations