3(2H)-Chloro-2-Methyl-3(2H)-Isothiazolone, Calcium Chloride Complex
[CAS# 57373-19-0]

Identification

• Name: 3(2H)-Chloro-2-Methyl-3(2H)-Isothiazolone, Calcium Chloride Complex
• Synonyms: Calcium 5-Chloro-2-Methyl-Isothiazol-3-One Dichloride; Calcium 5-Chloro-2-Methyl-3-Isothiazolone Dichloride; 5-Chloro-2-Methyl-3(2H)-Isothiazolone Calcium C*
• Molecular Formula: C₄H₄CaCl₃NOS
• Molecular Weight: 260.58
• CAS Registry Number: 57373-19-0
• SMILES: CN1SC(=CC1=O)Cl.[Ca++].[Cl-].[Cl-]
• InChI: 1S/C4H4ClNOS.Ca.2ClH/c1-6-4(7)2-3(5)8-6;;;/h2H,1H3;;2*1H/q;+2;;/p-2
• InChIKey: ZLJXBBQYDUERBP-UHFFFAOYSA-L

Properties

• Boiling point: 200.2°C at 760 mmHg (Cal.)
• Flash point: 74.9°C (Cal.)