3-[2-(Methylsulfanyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1-propanone
[CAS# 898780-28-4]

Identification

• Name: 3-[2-(Methylsulfanyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1-propanone
• Synonyms: 3-(2-thiomethylphenyl)-4'-trifluoromethylpropiophenone
• Molecular Formula: C₁₇H₁₅F₃OS
• Molecular Weight: 324.36
• CAS Registry Number: 898780-28-4
• SMILES: CSc2ccccc2CCC(=O)c1ccc(cc1)C(F)(F)F
• InChI: 1S/C17H15F3OS/c1-22-16-5-3-2-4-13(16)8-11-15(21)12-6-9-14(10-7-12)17(18,19)20/h2-7,9-10H,8,11H2,1H3
• InChIKey: WKKKXZARIBHLNL-UHFFFAOYSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 428.509°C at 760 mmHg (Cal.)
• Flash point: 212.955°C (Cal.)
• Refractive index: 1.557 (Cal.)