3-(3-Chloro-5-fluorophenyl)-1-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898750-43-1]

Identification

• Name: 3-(3-Chloro-5-fluorophenyl)-1-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 3-(3-chloro-5-fluorophenyl)-4'-thiomethylpropiophenone
• Molecular Formula: C₁₆H₁₄ClFOS
• Molecular Weight: 308.80
• CAS Registry Number: 898750-43-1
• SMILES: Fc2cc(CCC(=O)c1ccc(SC)cc1)cc(Cl)c2
• InChI: 1S/C16H14ClFOS/c1-20-15-5-3-12(4-6-15)16(19)7-2-11-8-13(17)10-14(18)9-11/h3-6,8-10H,2,7H2,1H3
• InChIKey: BPWMIVPWHWKXSW-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 448.512°C at 760 mmHg (Cal.)
• Flash point: 225.052°C (Cal.)
• Refractive index: 1.601 (Cal.)