{2-Chloro-5-[4-Chloro-5-(Difluoromethoxy)-1-Methyl-1H-Pyrazol-3-Yl]-4-Fluorophenoxy}Acetic Acid
[CAS# 129630-17-7]

Identification

• Name: {2-Chloro-5-[4-Chloro-5-(Difluoromethoxy)-1-Methyl-1H-Pyrazol-3-Yl]-4-Fluorophenoxy}Acetic Acid
• Synonyms: Pyraflufen (a metabolite of pyraflufen-ethyl) (ISO approved; pyraflufen ethyl; Pyraflufen-ethyl
• Molecular Formula: C₁₃H₉Cl₂F₃N₂O₄
• Molecular Weight: 385.12
• CAS Registry Number: 129630-17-7
• SMILES: FC(F)Oc1c(Cl)c(nn1C)c2cc(OCC(O)=O)c(Cl)cc2F
• 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

Properties

• Density: 1.643g/cm³ (Cal.)
• Boiling point: 468.874°C at 760 mmHg (Cal.)
• Flash point: 237.367°C (Cal.)
• Refractive index: 1.575 (Cal.)