Methyl 3-[4-(methylsulfanyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
[CAS 640727-84-0]

Identification

• Name: Methyl 3-[4-(methylsulfanyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
• Synonyms: Methyl 1-[4-(trifluoromethyl)phenyl]-3-[4-(methylthio)phenyl]-1H-pyrazole-5-carboxylate
• Molecular Formula: C₁₉H₁₅F₃N₂O₂S
• Molecular Weight: 392.39
• CAS Registry Number: 640727-84-0
• SMILES: COC(=O)C1=CC(=NN1C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)SC
• InChI: 1S/C19H15F3N2O2S/c1-26-18(25)17-11-16(12-3-9-15(27-2)10-4-12)23-24(17)14-7-5-13(6-8-14)19(20,21)22/h3-11H,1-2H3
• InChIKey: VKLZFPAOOQTSGS-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 500.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 256.7±30.1°C (Cal.)
• Refractive index: 1.579 (Cal.)