Methyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate
[CAS# 898289-62-8]

Identification

• Name: Methyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate
• Synonyms: 5-[2-(Methoxycarbonyl)phenyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole; BENZOIC ACID,2-[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]-, METHYL ESTER; Methyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate
• Molecular Formula: C₁₃H₁₁F₃N₂O₂
• Molecular Weight: 284.23
• CAS Registry Number: 898289-62-8
• SMILES: Cn1c(cc(n1)C(F)(F)F)c2ccccc2C(=O)OC
• InChI: 1S/C13H11F3N2O2/c1-18-10(7-11(17-18)13(14,15)16)8-5-3-4-6-9(8)12(19)20-2/h3-7H,1-2H3
• InChIKey: VBXXEOGWKRJBBH-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 373.779°C at 760 mmHg (Cal.)
• Flash point: 179.855°C (Cal.)
• Refractive index: 1.525 (Cal.)

Safety Data

• Safety Description: Harmful/Irritant