2-Benzylsulfanyl-5-(Trifluoromethyl)Benzoic Acid
[CAS# 24156-14-7]

Identification

• Name: 2-Benzylsulfanyl-5-(Trifluoromethyl)Benzoic Acid
• Synonyms: 2-(Phenylmethylthio)-5-(Trifluoromethyl)Benzoic Acid; 2-(Benzylthio)-5-(Trifluoromethyl)Benzoic Acid; 2-((Phenylmethyl)Thio)-5-(Trifluoromethyl)Benzoic Acid
• Molecular Formula: C₁₅H₁₁F₃O₂S
• Molecular Weight: 312.31
• CAS Registry Number: 24156-14-7
• SMILES: C1=C(C(=CC(=C1)C(F)(F)F)C(=O)O)SCC2=CC=CC=C2
• InChI: 1S/C15H11F3O2S/c16-15(17,18)11-6-7-13(12(8-11)14(19)20)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
• InChIKey: JJFQTKHGJJWAJZ-UHFFFAOYSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 404.761°C at 760 mmHg (Cal.)
• Flash point: 198.593°C (Cal.)