1-[4-(Methylsulfanyl)phenyl]-3-(3,4,5-trifluorophenyl)-1-propanone
[CAS# 898777-84-9]

Identification

• Name: 1-[4-(Methylsulfanyl)phenyl]-3-(3,4,5-trifluorophenyl)-1-propanone
• Synonyms: 4'-thiomethyl-3-(3,4,5-trifluorophenyl)propiophenone
• Molecular Formula: C₁₆H₁₃F₃OS
• Molecular Weight: 310.33
• CAS Registry Number: 898777-84-9
• SMILES: CSc1ccc(cc1)C(=O)CCc2cc(F)c(F)c(F)c2
• InChI: 1S/C16H13F3OS/c1-21-12-5-3-11(4-6-12)15(20)7-2-10-8-13(17)16(19)14(18)9-10/h3-6,8-9H,2,7H2,1H3
• InChIKey: BLMXXPIEQJLQOW-UHFFFAOYSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 426.972°C at 760 mmHg (Cal.)
• Flash point: 212.025°C (Cal.)
• Refractive index: 1.566 (Cal.)