Chlorosulfurous acid, ethyl ester

Base Information

• Chemical Name: Chlorosulfurous acid, ethyl ester
• CAS No.: 6378-11-6
• Molecular Formula: C2H5ClO2S
• Molecular Weight: 128.579
• European Community (EC) Number: 228-948-2
• DSSTox Substance ID: DTXSID40884280
• Nikkaji Number: J206.982B
• Mol file: 6378-11-6.mol

Synonyms:6378-11-6;chlorosulfinyloxyethane;Ethyl chlorosulphite;Chlorosulfurous acid, ethyl ester;Chloridosulfurous acid ethyl ester;CHLOROSULFUROUS ACID ETHYL ESTER;Ethyl Chlorosulfinate (>90per cent);ethyl chlorosulfite;SCHEMBL1358063;DTXSID40884280;EINECS 228-948-2;FT-0699407

Chemical Property of Chlorosulfurous acid, ethyl ester

Chemical Property:

• Vapor Pressure: 1.53mmHg at 25°C
• Refractive Index: 1.4550
• Boiling Point: 175.5°C at 760 mmHg
• Flash Point: 60°C
• PSA: 45.51000
• Density: 1.447g/cm³
• LogP: 1.70610
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 127.9698783
• Heavy Atom Count: 6
• Complexity: 55.5

Purity/Quality:

99% ^*data from raw suppliers

EthylChlorosulfinate(>90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOS(=O)Cl
• Uses: Ethyl chlorosulfinate is synthesized from Thionyl Chloride (T367750), which is an inorganic compound used as a chemical reagent in chlorination reactions. Used in the production of biological agents including insecticides and pesticides. Also used in the preparation of pharmaceutical agents, such as CFTR potentiators, commonly used in the treatment of cyctic fibrocis.

Technology Process of Chlorosulfurous acid, ethyl ester

There total 15 articles about Chlorosulfurous acid, ethyl ester 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: 75.0%

ethanol (64-17-5) → ethyl chlorosulfite (6378-11-6) + diethyl sulphite (623-81-4)

Guidance literature:

With thionyl chloride; at 0 - 70 ℃; for 48h;

DOI:10.1021/jo060404v

Reference yield:

ethanol (64-17-5) → ethyl chlorosulfite (6378-11-6)

Guidance literature:

With thionyl chloride;

Reference yield:

thiosulfurous acid O,S-diethyl ester (68261-74-5) → ethyl chlorosulfite (6378-11-6)

Guidance literature:

With sulfuryl dichloride; In diethyl ether; at -30 ℃;

upstream raw materials:

diethyl sulphite

ethanol

2,2-diethoxy acetic acid

orthoformic acid triethyl ester

Downstream raw materials:

ethylmethylsulfite

diethyl sulphite

isoamyl sulfite

(Ξ)-ethyl-((S)-1-phenyl-ethyl)-sulfite

Refernces

• 1、 Huibers,Manuzi, Alvaro,Rutjes, Floris P. J. T.,Van Delft, Floris L.. "A sulfitylation-oxidation protocol for the preparation of sulfates". . p. 7473 - 7476. Retrieved 2007/10/03.