Butyl 4-Amino-3-[3-(Trifluoromethyl)Phenyl]Isothiazole-5-Carboxylate
[CAS# 93923-94-5]

Identification

• Name: Butyl 4-Amino-3-[3-(Trifluoromethyl)Phenyl]Isothiazole-5-Carboxylate
• Synonyms: Butyl 4-Amino-3-[3-(Trifluoromethyl)Phenyl]Isothiazole-5-Carboxylate; 4-Amino-3-[3-(Trifluoromethyl)Phenyl]-5-Isothiazolecarboxylic Acid Butyl Ester; 4-Amino-3-[3-(Trifluoromethyl)Phenyl]Isothiazole-5-Carboxylic Acid Butyl Ester
• Molecular Formula: C₁₅H₁₅F₃N₂O₂S
• Molecular Weight: 344.35
• CAS Registry Number: 93923-94-5
• EINECS: 300-185-0
• SMILES: C2=C(C1=NSC(=C1N)C(OCCCC)=O)C=CC=C2C(F)(F)F
• InChI: 1S/C15H15F3N2O2S/c1-2-3-7-22-14(21)13-11(19)12(20-23-13)9-5-4-6-10(8-9)15(16,17)18/h4-6,8H,2-3,7,19H2,1H3
• InChIKey: RZQNJAZKCZDNHY-UHFFFAOYSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 375.981°C at 760 mmHg (Cal.)
• Flash point: 181.187°C (Cal.)