1-{4-[(Trifluoromethyl)sulfanyl]phenyl}ethanone
[CAS# 713-67-7]

Identification

• Name: 1-{4-[(Trifluoromethyl)sulfanyl]phenyl}ethanone
• Synonyms: 1-(4-((trifluoromethyl)thio)phenyl)ethanone; 1-(4-(trifluoromethylthio)phenyl)ethanone; 1-acetyl-4-(trifluoromethylthio)benzene
• Molecular Formula: C₉H₇F₃OS
• Molecular Weight: 220.21
• CAS Registry Number: 713-67-7
• SMILES: CC(=O)C1=CC=C(C=C1)SC(F)(F)F
• InChI: 1S/C9H7F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3
• InChIKey: TXNFKHHYTGEPRL-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 21-23°C (Expl.)
• Boiling point: 204.9±40.0°C at 760 mmHg (Cal.)
• Flash point: 77.7±27.3°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin