(2-Oxo-1,3-benzothiazol-3(2H)-yl)acetic acid
[CAS# 945-03-9]

Identification

• Name: (2-Oxo-1,3-benzothiazol-3(2H)-yl)acetic acid
• Synonyms: (2-Oxo-benzothiazol-3-yl)-acetic acid; 2-(2-oxo-3-hydrobenzothiazol-3-yl)acetic acid; MFCD00796503
• Molecular Formula: C₉H₇NO₃S
• Molecular Weight: 209.22
• CAS Registry Number: 945-03-9
• SMILES: C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)O
• InChI: 1S/C9H7NO3S/c11-8(12)5-10-6-3-1-2-4-7(6)14-9(10)13/h1-4H,5H2,(H,11,12)
• InChIKey: SXOCCTHWTPGZHT-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 444.9±47.0°C at 760 mmHg (Cal.)
• Flash point: 222.8±29.3°C (Cal.)

Safety Data

• Safety Description: IRRITANT