1-(4-Chloro-2-fluorophenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-65-2]

Identification

• Name: 1-(4-Chloro-2-fluorophenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 4'-chloro-2'-fluoro-3-(4-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₆H₁₄ClFOS
• Molecular Weight: 308.80
• CAS Registry Number: 898781-65-2
• SMILES: O=C(CCc1ccc(SC)cc1)c2ccc(Cl)cc2F
• InChI: 1S/C16H14ClFOS/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-8-5-12(17)10-15(14)18/h2-3,5-8,10H,4,9H2,1H3
• InChIKey: IISYPCDULXLHMN-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 451.856°C at 760 mmHg (Cal.)
• Flash point: 227.075°C (Cal.)
• Refractive index: 1.601 (Cal.)