1-(4-Methoxyphenyl)-3-(Trifluoromethyl)-1H-Pyrazole-5-Carboxylic Acid
[CAS# 218631-48-2]

Identification

• Name: 1-(4-Methoxyphenyl)-3-(Trifluoromethyl)-1H-Pyrazole-5-Carboxylic Acid
• Synonyms: 1-(4-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXYLICACID; 1H-PYRAZOLE-5-CARBOXYLICACID, 1-(4-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-
• Molecular Formula: C₁₂H₉F₃N₂O₃
• Molecular Weight: 286.21
• CAS Registry Number: 218631-48-2
• SMILES: FC(F)(F)c2nn(c1ccc(OC)cc1)c(c2)C(=O)O
• InChI: 1S/C12H9F3N2O3/c1-20-8-4-2-7(3-5-8)17-9(11(18)19)6-10(16-17)12(13,14)15/h2-6H,1H3,(H,18,19)
• InChIKey: BFYFZAUTJOTSSE-UHFFFAOYSA-N

Properties

• Density: 1.441g/cm³ (Cal.)
• Boiling point: 405.431°C at 760 mmHg (Cal.)
• Flash point: 198.998°C (Cal.)
• Refractive index: 1.545 (Cal.)