3-(Chloroacetyl)-1,3-benzothiazol-2(3H)-one
[CAS# 90736-77-9]

Identification

• Name: 3-(Chloroacetyl)-1,3-benzothiazol-2(3H)-one
• Synonyms: 3-(2-chloroacetyl)benzo[d]thiazol-2(3H)-one
• Molecular Formula: C₉H₆ClNO₂S
• Molecular Weight: 227.67
• CAS Registry Number: 90736-77-9
• SMILES: ClCC(=O)N1c2ccccc2SC1=O
• InChI: 1S/C9H6ClNO2S/c10-5-8(12)11-6-3-1-2-4-7(6)14-9(11)13/h1-4H,5H2
• InChIKey: RAIJOFHCWPZYLE-UHFFFAOYSA-N

Properties

• Density: 1.536g/cm³ (Cal.)
• Boiling point: 378.66°C at 760 mmHg (Cal.)
• Flash point: 182.807°C (Cal.)