5-Chloro-2-methyl-2H-isothiazol-3-one hydrochloride

Base Information

• Chemical Name: 5-Chloro-2-methyl-2H-isothiazol-3-one hydrochloride
• CAS No.: 26530-03-0
• Deprecated CAS: 116680-96-7
• Molecular Formula: C4H4ClNOS^.HCl
• Molecular Weight: 186.062
• Hs Code.: 2934999090
• European Community (EC) Number: 247-760-1
• DSSTox Substance ID: DTXSID5067219
• Mol file: 26530-03-0.mol

Synonyms:5-chloro-2-methyl-4-isothiazolin-3-one;5-chloro-2-methyl-4-isothiazolin-3-one hydrochloride;5-chloro-2-methylisothiazolin-3-one;5-chloro-N-methylisothiazolone;5243-K-Cg;methylchloro-isothiazolinone;methylchloroisothiazolinone

Chemical Property of 5-Chloro-2-methyl-2H-isothiazol-3-one hydrochloride

Chemical Property:

• Appearance/Colour: Yellow liquid
• Melting Point: 52oC
• Boiling Point: 200.2 °C at 760 mmHg
• Flash Point: 74.9 °C
• PSA: 50.24000
• Density: 1.51 g/cm3
• LogP: 1.90220
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 184.9468903
• Heavy Atom Count: 9
• Complexity: 156

Purity/Quality:

5-Chloro-2-methyl-2H-isothiazol-3-oneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C=C(S1)Cl.Cl

Technology Process of 5-Chloro-2-methyl-2H-isothiazol-3-one hydrochloride

There total 1 articles about 5-Chloro-2-methyl-2H-isothiazol-3-one hydrochloride 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:

→ 5-chloro-2-methyl-isothiazol-3-one; hydrochloride (26530-03-0)

Guidance literature:

Hydroxyisothiazol, CH3X;