Sodium 4-Chloro-2-Oxo-2H-Benzothiazole-3-Acetate
[CAS# 85272-51-1]

Identification

• Name: Sodium 4-Chloro-2-Oxo-2H-Benzothiazole-3-Acetate
• Synonyms: Sodium 2-(4-Chloro-2-Keto-1,3-Benzothiazol-3-Yl)Acetate; Sodium 2-(4-Chloro-2-Oxo-1,3-Benzothiazol-3-Yl)Ethanoate; Sodium 4-Chloro-2-Oxo-2H-Benzothiazole-3-Acetate
• Molecular Formula: C₉H₅ClNNaO₃S
• Molecular Weight: 265.65
• CAS Registry Number: 85272-51-1
• EINECS: 286-570-3
• SMILES: C1=CC=C(Cl)C2=C1SC(=O)N2CC([O-])=O.[Na+]
• InChI: 1S/C9H6ClNO3S.Na/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6;/h1-3H,4H2,(H,12,13);/q;+1/p-1
• InChIKey: SOJNIFANAIIRLQ-UHFFFAOYSA-M

Properties

• Boiling point: 468.4°C at 760 mmHg (Cal.)
• Flash point: 237.1°C (Cal.)