Methyl 5-[4-(methylsulfanyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylate
[CAS# 641639-55-6]

Identification

• Name: Methyl 5-[4-(methylsulfanyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylate
• Synonyms: Methyl 1-(4-(trifluoromethyl)phenyl)-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylate; Methyl 5-(4-methylsulfanylphenyl)-1-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylate
• Molecular Formula: C₁₉H₁₅F₃N₂O₂S
• Molecular Weight: 392.39
• CAS Registry Number: 641639-55-6
• SMILES: FC(F)(F)c1ccc(cc1)n2nc(cc2c3ccc(SC)cc3)C(=O)OC
• InChI: 1S/C19H15F3N2O2S/c1-26-18(25)16-11-17(12-3-9-15(27-2)10-4-12)24(23-16)14-7-5-13(6-8-14)19(20,21)22/h3-11H,1-2H3
• InChIKey: KSGGVVZMQIRRLK-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 500.903°C at 760 mmHg (Cal.)
• Flash point: 256.737°C (Cal.)
• Refractive index: 1.579 (Cal.)