2-[(3-Trifluoromethylphenyl)Sulfinyl]Benzoic Acid
[CAS# 58844-70-5]

Identification

• Name: 2-[(3-Trifluoromethylphenyl)Sulfinyl]Benzoic Acid
• Synonyms: 2-((3-(Trifluoromethyl)Phenyl)Sulfinyl)Benzoic Acid; Benzoic Acid, O-((Alpha,Alpha,Alpha-Trifluoro-M-Tolyl)Sulfinyl)-; Brn 2154446
• Molecular Formula: C₁₄H₉F₃O₃S
• Molecular Weight: 314.28
• CAS Registry Number: 58844-70-5
• SMILES: C1=CC=CC(=C1[S](C2=CC=CC(=C2)C(F)(F)F)=O)C(O)=O
• InChI: 1S/C14H9F3O3S/c15-14(16,17)9-4-3-5-10(8-9)21(20)12-7-2-1-6-11(12)13(18)19/h1-8H,(H,18,19)
• InChIKey: TWLUUCVHAKXBJU-UHFFFAOYSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 468.02°C at 760 mmHg (Cal.)
• Flash point: 236.85°C (Cal.)