3-[2-(Methylsulfanyl)phenyl]-1-(3,4,5-trifluorophenyl)-1-propanone
[CAS# 898780-63-7]

Identification

• Name: 3-[2-(Methylsulfanyl)phenyl]-1-(3,4,5-trifluorophenyl)-1-propanone
• Synonyms: 3-(2-thiomethylphenyl)-3',4',5'-trifluoropropiophenone
• Molecular Formula: C₁₆H₁₃F₃OS
• Molecular Weight: 310.33
• CAS Registry Number: 898780-63-7
• SMILES: CSc2ccccc2CCC(=O)c1cc(F)c(F)c(F)c1
• InChI: 1S/C16H13F3OS/c1-21-15-5-3-2-4-10(15)6-7-14(20)11-8-12(17)16(19)13(18)9-11/h2-5,8-9H,6-7H2,1H3
• InChIKey: NXIWFGWYDQBSID-UHFFFAOYSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 428.636°C at 760 mmHg (Cal.)
• Flash point: 213.032°C (Cal.)
• Refractive index: 1.566 (Cal.)