(5-Chloro-2-Oxo-1,3-Benzothiazol-3(2H)-Yl)Acetic Acid
[CAS# 54769-25-4]

Identification

• Name: (5-Chloro-2-Oxo-1,3-Benzothiazol-3(2H)-Yl)Acetic Acid
• Synonyms: 2-(5-chloro-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid; 3(2H)-Benzothiazoleaceticacid,5-chloro-2-oxo-; 3-Carboxymethyl-5-chloro-2(3H)-benzothiazolone
• Molecular Formula: C₉H₆ClNO₃S
• Molecular Weight: 243.67
• CAS Registry Number: 54769-25-4
• SMILES: OC(=O)CN1c2cc(Cl)ccc2SC1=O
• InChI: 1S/C9H6ClNO3S/c10-5-1-2-7-6(3-5)11(4-8(12)13)9(14)15-7/h1-3H,4H2,(H,12,13)
• InChIKey: MYTTVLWLGMIDQY-UHFFFAOYSA-N

Properties

• Density: 1.628g/cm³ (Cal.)
• Boiling point: 493.437°C at 760 mmHg (Cal.)
• Flash point: 252.222°C (Cal.)