3-[4-(Methylsulfanyl)phenyl]-1-(3,4,5-trifluorophenyl)-1-propanone
[CAS# 898781-83-4]

Identification

• Name: 3-[4-(Methylsulfanyl)phenyl]-1-(3,4,5-trifluorophenyl)-1-propanone
• Synonyms: 3-(4-thiomethylphenyl)-3',4',5'-trifluoropropiophenone
• Molecular Formula: C₁₆H₁₃F₃OS
• Molecular Weight: 310.33
• CAS Registry Number: 898781-83-4
• SMILES: CSc2ccc(CCC(=O)c1cc(F)c(F)c(F)c1)cc2
• InChI: 1S/C16H13F3OS/c1-21-12-5-2-10(3-6-12)4-7-15(20)11-8-13(17)16(19)14(18)9-11/h2-3,5-6,8-9H,4,7H2,1H3
• InChIKey: NNTRQGBJPFDAAB-UHFFFAOYSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 430.184°C at 760 mmHg (Cal.)
• Flash point: 213.968°C (Cal.)
• Refractive index: 1.566 (Cal.)