4,5-Dichloro-2-methyl-3(2H)-isothiazolone

Base Information

• Chemical Name: 4,5-Dichloro-2-methyl-3(2H)-isothiazolone
• CAS No.: 26542-23-4
• Molecular Formula: C4H3 Cl2 N O S
• Molecular Weight: 184.046
• Mol file: 26542-23-4.mol

Synonyms:4-Isothiazolin-3-one,4,5-dichloro-2-methyl- (8CI); 2-Methyl-4,5-dichloro-3-isothiazolone;2-Methyl-4,5-dichloroisothiazolin-3-one;4,5-Dichloro-2-methyl-3(2H)-isothiazolone;4,5-Dichloro-2-methyl-4-isothiazolin-3-one;4,5-Dichloro-2-methylisothiazol-3-one

Chemical Property of 4,5-Dichloro-2-methyl-3(2H)-isothiazolone

Chemical Property:

• Vapor Pressure: 0.347mmHg at 25°C
• Melting Point: 116 °C
• Boiling Point: 199.1°C at 760 mmHg
• PKA: -6.08±0.60(Predicted)
• Flash Point: 74.2°C
• PSA: 50.24000
• Density: 1.66g/cm³
• LogP: 1.75360
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

4,5-Dichloro-2-methylisothiazol-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4,5-Dichloro-2-methyl-3(2H)-isothiazolone

There total 5 articles about 4,5-Dichloro-2-methyl-3(2H)-isothiazolone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 8.0%

N,N'-dimethyl-3,3'-dithiodipropionamide (999-72-4) → 5-chloro-2-methyl-2H-isothiazol-3-one (26172-55-4) + 4,5-Dichloro-2-methyl-3(2H)-isothiazolone (26542-23-4) + 2-methyl-3-isothiazolone (2682-20-4)

Guidance literature:

With thionyl chloride; In 1,2-dichloro-ethane;

DOI:10.1016/j.tet.2003.09.064

Reference yield:

2-methyl-3-isothiazolone (2682-20-4) → 4,5-Dichloro-2-methyl-3(2H)-isothiazolone (26542-23-4)

Guidance literature:

With sulfuryl dichloride; In ethyl acetate;

Reference yield:

2-methyl-3,4,5-trichloroisothiazolium fluorosulfonate (71091-36-6) → 4,5-Dichloro-2-methyl-3(2H)-isothiazolone (26542-23-4)

Guidance literature:

upstream raw materials:

2-methyl-3-isothiazolone

N,N'-dimethyl-3,3'-dithiodipropionamide

2-methyl-3,4,5-trichloroisothiazolium fluorosulfonate

2-methyl-3,4,5-trichloroisothiazolium methyl sulfate

Refernces

• 1、 -. "2-Alkyl-3-haloisothiazolium salts and their derivatives". . . Retrieved 2008/06/13.