3-(3-(Trifluoromethyl)Phenyl)-5-Isothiazolecarboxylic Acid
[CAS# 82424-94-0]

Identification

• Name: 3-(3-(Trifluoromethyl)Phenyl)-5-Isothiazolecarboxylic Acid
• Synonyms: 3-[3-(Trifluoromethyl)Phenyl]Isothiazole-5-Carboxylic Acid; 3-[3-(Trifluoromethyl)Phenyl]-5-Isothiazolecarboxylic Acid; 3-(3-(Trifluoromethyl)Phenyl)-5-Isothiazolecarboxylic Acid
• Molecular Formula: C₁₁H₆F₃NO₂S
• Molecular Weight: 273.23
• CAS Registry Number: 82424-94-0
• SMILES: C1=C(SN=C1C2=CC=CC(=C2)C(F)(F)F)C(=O)O
• InChI: 1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)8-5-9(10(16)17)18-15-8/h1-5H,(H,16,17)
• InChIKey: JBBMPBUPJGSYJG-UHFFFAOYSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 328.473°C at 760 mmHg (Cal.)
• Flash point: 152.455°C (Cal.)