2-{[3-(Trifluoromethyl)Phenyl]Thio}Benzoic Acid
[CAS# 16174-88-2]

Identification

• Name: 2-{[3-(Trifluoromethyl)Phenyl]Thio}Benzoic Acid
• Synonyms: 2-[[3-(Trifluoromethyl)Phenyl]Thio]Benzoic Acid; 2-((3-(Trifluoromethyl)Phenyl)Thio)Benzoic Acid; Benzoic Acid, O-((Alpha,Alpha,Alpha-Trifluoro-M-Tolyl)Thio)-
• Molecular Formula: C₁₄H₉F₃O₂S
• Molecular Weight: 298.28
• CAS Registry Number: 16174-88-2
• SMILES: C1=CC=CC(=C1SC2=CC(=CC=C2)C(F)(F)F)C(O)=O
• InChI: 1S/C14H9F3O2S/c15-14(16,17)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13(18)19/h1-8H,(H,18,19)
• InChIKey: JFNWLZMHYFDRNE-UHFFFAOYSA-N

Properties

• Density: 1.444g/cm³ (Cal.)
• Boiling point: 388.152°C at 760 mmHg (Cal.)
• Flash point: 188.548°C (Cal.)