2,2,2-Trifluoro-1-(4-sulfanylphenyl)ethanone
[CAS# 86988-51-4]

Identification

• Name: 2,2,2-Trifluoro-1-(4-sulfanylphenyl)ethanone
• Synonyms: 1-(4-Thiophenyl)-2,2,2-trifluoroethan-1-one; 2,2,2-trifluoro-1-(4-mercaptophenyl)ethanone; 2,2,2-trifluoro-1-(4-sulfanylphenyl)ethan-1-one
• Molecular Formula: C₈H₅F₃OS
• Molecular Weight: 206.18
• CAS Registry Number: 86988-51-4
• SMILES: O=C(c1ccc(S)cc1)C(F)(F)F
• InChI: 1S/C8H5F3OS/c9-8(10,11)7(12)5-1-3-6(13)4-2-5/h1-4,13H
• InChIKey: KHVYFEZEKOHGOB-UHFFFAOYSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 250.025°C at 760 mmHg (Cal.)
• Flash point: 105.012°C (Cal.)

Safety Data

• Safety Description: Irritant/Stench