4-Bromo-3-(3-(Trifluoromethyl)Phenyl)-5-Isothiazolecarboxylic Acid
[CAS# 82425-09-0]

Identification

• Name: 4-Bromo-3-(3-(Trifluoromethyl)Phenyl)-5-Isothiazolecarboxylic Acid
• Synonyms: 4-Bromo-3-[3-(Trifluoromethyl)Phenyl]Isothiazole-5-Carboxylic Acid; 4-Bromo-3-[3-(Trifluoromethyl)Phenyl]-5-Isothiazolecarboxylic Acid; 4-Bromo-3-(3-(Trifluoromethyl)Phenyl)-5-Isothiazolecarboxylic Acid
• Molecular Formula: C₁₁H₅BrF₃NO₂S
• Molecular Weight: 352.13
• CAS Registry Number: 82425-09-0
• SMILES: C1=C(C=CC=C1C2=NSC(=C2Br)C(=O)O)C(F)(F)F
• InChI: 1S/C11H5BrF3NO2S/c12-7-8(16-19-9(7)10(17)18)5-2-1-3-6(4-5)11(13,14)15/h1-4H,(H,17,18)
• InChIKey: ZDWRBPHIVFKMPL-UHFFFAOYSA-N

Properties

• Density: 1.764g/cm³ (Cal.)
• Boiling point: 336.416°C at 760 mmHg (Cal.)
• Flash point: 157.259°C (Cal.)