Chlorosulfuric acid, 1-chloroethyl ester

Base Information

• Chemical Name: Chlorosulfuric acid, 1-chloroethyl ester
• CAS No.: 90906-61-9
• Molecular Formula: C2H4Cl2O3S
• Molecular Weight: 179.024
• European Community (EC) Number: 819-589-8
• DSSTox Substance ID: DTXSID20536270
• Mol file: 90906-61-9.mol

Synonyms:90906-61-9;1-chloro-1-chlorosulfonyloxyethane;1-Chloroethyl sulfochloridate;Chlorosulfuric acid, 1-chloroethyl ester;1-CHLOROETHYL CHLORANESULFONATE;1-Chloroethylsulfochloridate;SCHEMBL847661;1-Chloroethyl sulfurochloridate;DTXSID20536270;alpha-chloroethyl chlorosulfonic acid;AKOS006333357;F74044;EN300-1692339

Chemical Property of Chlorosulfuric acid, 1-chloroethyl ester

Chemical Property:

• PSA: 51.75000
• LogP: 2.15220
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.9258205
• Heavy Atom Count: 8
• Complexity: 145

Purity/Quality:

98% ^*data from raw suppliers

1-Chloroethylsulfochloridate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(OS(=O)(=O)Cl)Cl

Technology Process of Chlorosulfuric acid, 1-chloroethyl ester

There total 3 articles about Chlorosulfuric acid, 1-chloroethyl 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: 90.0%

carbonochloridic acid 1-chloro-ethyl ester (50893-53-3) → α-chloroethyl chlorosulfate (90906-61-9)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 0 ℃; for 4h; Inert atmosphere;

Reference yield: 25.6%

1-chloro-1-iodo-ethane (594-00-3) → α-chloroethyl chlorosulfate (90906-61-9)

Guidance literature:

With chlorosulfonic acid; In dichloromethane;

Reference yield:

→ α-chloroethyl chlorosulfate (90906-61-9)

Guidance literature:

upstream raw materials:

1-chloro-1-iodo-ethane

carbonochloridic acid 1-chloro-ethyl ester

Refernces

• 1、 -. "PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS". Paragraph 0339-341. . Retrieved 2021/03/05.
• 2、 -. "Substituted aza indole compounds and salts thereof, composition and use thereof". Paragraph 0550; 0552; 0553. . Retrieved 2018/11/03.