1-(2-Chloro-4-fluorophenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-61-8]

Identification

• Name: 1-(2-Chloro-4-fluorophenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 2'-chloro-4'-fluoro-3-(4-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₆H₁₄ClFOS
• Molecular Weight: 308.80
• CAS Registry Number: 898781-61-8
• SMILES: O=C(CCc1ccc(SC)cc1)c2ccc(F)cc2Cl
• InChI: 1S/C16H14ClFOS/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-8-5-12(18)10-15(14)17/h2-3,5-8,10H,4,9H2,1H3
• InChIKey: KYPBCVYFFOCUDK-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 430.327°C at 760 mmHg (Cal.)
• Flash point: 214.054°C (Cal.)
• Refractive index: 1.601 (Cal.)