5-(Dihydroxymethylidene)-3-[3-(Trifluoromethyl)Phenyl]Thiazol-4-One
[CAS# 82424-19-9]

Identification

• Name: 5-(Dihydroxymethylidene)-3-[3-(Trifluoromethyl)Phenyl]Thiazol-4-One
• Synonyms: 5-(Dihydroxymethylene)-3-[3-(Trifluoromethyl)Phenyl]Isothiazol-4-One; 5-(Dihydroxymethylene)-3-[3-(Trifluoromethyl)Phenyl]-4-Isothiazolone; 4-Hydroxy-3-(3-(Trifluoromethyl)Phenyl)-5-Isothiazolecarboxylic Acid
• Molecular Formula: C₁₁H₆F₃NO₃S
• Molecular Weight: 289.23
• CAS Registry Number: 82424-19-9
• SMILES: C2=C(C1=NSC(C1=O)=C(O)O)C=CC=C2C(F)(F)F
• InChI: 1S/C11H6F3NO3S/c12-11(13,14)6-3-1-2-5(4-6)7-8(16)9(10(17)18)19-15-7/h1-4,17-18H
• InChIKey: FDUVUBUGZMAMNE-UHFFFAOYSA-N

Properties

• Density: 1.626g/cm³ (Cal.)
• Boiling point: 343.185°C at 760 mmHg (Cal.)
• Flash point: 161.353°C (Cal.)