2-(chloromethyl)-1,1-diketo-1,2-benzothiazol-3-one
[CAS# 13947-21-2]

Identification

• Name: 2-(chloromethyl)-1,1-diketo-1,2-benzothiazol-3-one
• Synonyms: 2-(Chloromethyl)-1,1-Diketo-1,2-Benzothiazol-3-One; Idi1_007672; Enamine_005085
• Molecular Formula: C₈H₆ClNO₃S
• Molecular Weight: 231.65
• CAS Registry Number: 13947-21-2
• SMILES: C1=CC=CC2=C1C(N(CCl)[S]2(=O)=O)=O
• InChI: 1S/C8H6ClNO3S/c9-5-10-8(11)6-3-1-2-4-7(6)14(10,12)13/h1-4H,5H2
• InChIKey: RFAHYFCQZDZXLP-UHFFFAOYSA-N

Properties

• Density: 1.596g/cm³ (Cal.)
• Boiling point: 402.794°C at 760 mmHg (Cal.)
• Flash point: 197.403°C (Cal.)

References

• (1): W. A. Siddiqui, S. Ahmad, I. U. Khan, H. L. Siddiqui and M. Parvez. 2-Chloromethyl-1,2-benzisothiazole-1,1,3(2H)-trione, Acta Cryst. (2007). E63, o4116