26542-23-4

Basic information

• Product Name: 4,5-Dichloro-2-methyl-3(2H)-isothiazolone
• Synonyms: 4,5-Dichloro-2-methyl-3(2H)-isothiazolone;4,5-dichloro-2-methyl-4-isothiazolin-3-one;4,5-DICHLORO-2-METHYLISOTHIAZOLINONE;4,5-Dichloro-2-Methylisothiazol-3-one
• CAS NO: 26542-23-4
• Molecular Formula: C₄H₃Cl₂NOS
• Molecular Weight: 184.04
• Product Categories: Heterocycles, Inhibitors, Sulfur & Selenium Compounds
• Mol File: 26542-23-4.mol
• Article Data: 3

Chemical Properties

• Melting Point: 116 °C
• Boiling Point: 199.1°C at 760 mmHg
• Flash Point: 74.2°C
• Appearance: /
• Density: 1.66g/cm³
• Vapor Pressure: 0.347mmHg at 25°C
• Refractive Index: 1.637
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• PKA: -6.08±0.60(Predicted)
• CAS DataBase Reference: 4,5-Dichloro-2-methyl-3(2H)-isothiazolone(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5-Dichloro-2-methyl-3(2H)-isothiazolone(26542-23-4)
• EPA Substance Registry System: 4,5-Dichloro-2-methyl-3(2H)-isothiazolone(26542-23-4)

Safety Data

• RIDADR: 2922
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 26542-23-4(Hazardous Substances Data)

Usage

Uses

4,5-Dichloro-2-methylisothiazol-3-one is an methylisothiazolinone derivative and a potential antimicrobial agent for the inhibition of PCAF activity.

InChI:InChI=1/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3

Upstream product

• 2682-20-4 2-methyl-3-isothiazolone 
• 71091-37-7 2-methyl-3,4,5-trichloroisothiazolium methyl sulfate 
• 71091-36-6 2-methyl-3,4,5-trichloroisothiazolium fluorosulfonate 
• 999-72-4 N,N'-dimethyl-3,3'-dithiodipropionamide 

Relevant articles and documents

Isothiazoles. Part 14: New 3-aminosubstituted isothiazole dioxides and their mono- and dihalogeno derivatives

3-Alkylamino- and 3-arylamino isothiazole dioxides unsubstituted at C-4 and C-5 were synthesized starting from dithiopropionic amides. Taking advantage of the direct chlorination during the cyclization process or realizing an addition-elimination process with bromine on the final 3-aminoisothiazole dioxide derivatives, the corresponding 5-chloro-, 4,5-dichloro- or the 4-bromoisothiazole dioxides could also be made available.

3-Isothiazolones as biocides

Disclosed herein are certain novel compounds which are most properly designated as 3-isothiazolones. These compounds and compositions containing them exhibit a broad spectrum of biocidal properties and are particularly effective for the control of microorganisms.