3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid
[CAS# 641571-13-3]

Identification

• Name: 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid
• Synonyms: 3-(4-Methylimidazol-1-yl)-5-(trifluoromethyl)benzoic acid; BENZOIC ACID,3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)-; MFCD09998833
• Molecular Formula: C₁₂H₉F₃N₂O₂
• Molecular Weight: 270.21
• CAS Registry Number: 641571-13-3
• SMILES: Cc1cn(cn1)c2cc(cc(c2)C(F)(F)F)C(=O)O
• InChI: 1S/C12H9F3N2O2/c1-7-5-17(6-16-7)10-3-8(11(18)19)2-9(4-10)12(13,14)15/h2-6H,1H3,(H,18,19)
• InChIKey: ZQOCDOFDUXPNGM-UHFFFAOYSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Boiling point: 423.524°C at 760 mmHg (Cal.)
• Flash point: 209.94°C (Cal.)
• Refractive index: 1.552 (Cal.)