3-(3-Chloro-5-fluorophenyl)-1-[2-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898750-40-8]

Identification

• Name: 3-(3-Chloro-5-fluorophenyl)-1-[2-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 3-(3-chloro-5-fluorophenyl)-2'-thiomethylpropiophenone
• Molecular Formula: C₁₆H₁₄ClFOS
• Molecular Weight: 308.80
• CAS Registry Number: 898750-40-8
• SMILES: Fc2cc(CCC(=O)c1ccccc1SC)cc(Cl)c2
• InChI: 1S/C16H14ClFOS/c1-20-16-5-3-2-4-14(16)15(19)7-6-11-8-12(17)10-13(18)9-11/h2-5,8-10H,6-7H2,1H3
• InChIKey: FRVWAMNIAGOGRU-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 428.144°C at 760 mmHg (Cal.)
• Flash point: 212.734°C (Cal.)
• Refractive index: 1.601 (Cal.)