2-Methyl-4-isothiazolin-3-one calcium chloride

Base Information

• Chemical Name: 2-Methyl-4-isothiazolin-3-one calcium chloride
• CAS No.: 57373-20-3
• Molecular Formula: C4H5CaCl2NOS
• Molecular Weight: 226.1376
• UNII: VHI00378X9
• Wikidata: Q27291839
• Mol file: 57373-20-3.mol

Synonyms:Microbiocide 886;2-Methyl-4-isothiazolin-3-one calcium chloride;RH 651 calcium chloride;57373-20-3;Caswell No. 195C;RH 30;EPA Pesticide Chemical Code 107102;Calcium, dichloro(2-methyl-3(2H)-isothiazolone-O)-;UNII-VHI00378X9;calcium;2-methyl-1,2-thiazol-3-one;dichloride;VHI00378X9;C4H5CaCl2NOS;C4-H5-Ca-Cl2-N-O-S;RH-651 CALCIUM CHLORIDE;RH-30;LS-48646;Q27291839

Chemical Property of 2-Methyl-4-isothiazolin-3-one calcium chloride

Chemical Property:

• Vapor Pressure: 0.797mmHg at 25°C
• Boiling Point: 182.8 °C at 760mmHg
• Flash Point: 64.3 °C
• PSA: 50.24000
• LogP: -5.54520
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 224.9094812
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C=CS1.[Cl-].[Cl-].[Ca+2]