1,3-Benzothiazole-3(2H)-carboxylic acid
[CAS# 856300-58-8]

Identification

• Name: 1,3-Benzothiazole-3(2H)-carboxylic acid
• Synonyms: 3(2H)-BENZOTHIAZOLECARBOXYLICACID; 3-Benzothiazolinecarboxylic acid; benzo[d]thiazole-3(2H)-carboxylic acid
• Molecular Formula: C₈H₇NO₂S
• Molecular Weight: 181.21
• CAS Registry Number: 856300-58-8
• SMILES: OC(=O)N2CSc1ccccc12
• InChI: 1S/C8H7NO2S/c10-8(11)9-5-12-7-4-2-1-3-6(7)9/h1-4H,5H2,(H,10,11)
• InChIKey: KYUNTDRHCPSMOG-UHFFFAOYSA-N

Properties

• Density: 1.494g/cm³ (Cal.)
• Boiling point: 343.565°C at 760 mmHg (Cal.)
• Flash point: 161.582°C (Cal.)
• Refractive index: 1.702 (Cal.)