(1,1-Dioxido-3-Oxo-1,2-Benzothiazol-2(3H)-Yl)Acetic Acid
[CAS# 52188-11-1]

Identification

• Name: (1,1-Dioxido-3-Oxo-1,2-Benzothiazol-2(3H)-Yl)Acetic Acid
• Synonyms: (1,1,3-Trioxo-1,3-dihydro-1l6-benzo[d]isothiazol-2-yl)-acetic acid; (1,1,3-Trioxo-1,3-dihydro-1λ*6*-benzo[d]isothiazol-2-yl)-acetic acid; (1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetic acid
• Molecular Formula: C₉H₇NO₅S
• Molecular Weight: 241.22
• CAS Registry Number: 52188-11-1
• SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)O
• InChI: 1S/C9H7NO5S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)16(10,14)15/h1-4H,5H2,(H,11,12)
• InChIKey: MQAZHTHFEBUHCD-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 514.0±52.0°C at 760 mmHg (Cal.)
• Flash point: 264.7±30.7°C (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): N. Feeder and W. Jones. Four N-saccharinaliphatic acids, Acta Cryst. (1994). C50, 1118-1122