1-(4-Chloro-2-fluorophenyl)-3-[2-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898780-40-0]

Identification

• Name: 1-(4-Chloro-2-fluorophenyl)-3-[2-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 4'-chloro-2'-fluoro-3-(2-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₆H₁₄ClFOS
• Molecular Weight: 308.80
• CAS Registry Number: 898780-40-0
• SMILES: O=C(CCc1ccccc1SC)c2ccc(Cl)cc2F
• InChI: 1S/C16H14ClFOS/c1-20-16-5-3-2-4-11(16)6-9-15(19)13-8-7-12(17)10-14(13)18/h2-5,7-8,10H,6,9H2,1H3
• InChIKey: PPHXKUONVFDFLH-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 445.12°C at 760 mmHg (Cal.)
• Flash point: 223.001°C (Cal.)
• Refractive index: 1.601 (Cal.)