2-Chloroethanesulphonyl isocyanate

Base Information

• Chemical Name: 2-Chloroethanesulphonyl isocyanate
• CAS No.: 4794-41-6
• Molecular Formula: C3H4 Cl N O3 S
• Molecular Weight: 169.589
• European Community (EC) Number: 225-350-3
• UNII: Z4B6WK7RYW
• DSSTox Substance ID: DTXSID00197363
• Nikkaji Number: J262.460E
• Mol file: 4794-41-6.mol

Synonyms:2-Chloroethanesulphonyl isocyanate;4794-41-6;Z4B6WK7RYW;EINECS 225-350-3;2-CHLOROETHANE-1-SULFONYL ISOCYANATE;2-chloroethanesulfonyl isocyanate;C3H4ClNO3S;UNII-Z4B6WK7RYW;C3-H4-Cl-N-O3-S;2-Chloroethylsulfonyl isocyanate;SCHEMBL10780891;DTXSID00197363;beta-chlorethylsulphonyl isocyanate;AKOS006384036;.BETA.-CHLOROETHYLSULFONYLISOCYANATE;ETHANESULFONYL ISOCYANATE, 2-CHLORO-;EN300-7610851

Chemical Property of 2-Chloroethanesulphonyl isocyanate

Chemical Property:

• Vapor Pressure: 0.0128mmHg at 25°C
• Boiling Point: 268.2°C at 760 mmHg
• Flash Point: 116°C
• PSA: 71.95000
• Density: 1.51g/cm³
• LogP: 0.97160
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 168.9600419
• Heavy Atom Count: 9
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)S(=O)(=O)N=C=O

Technology Process of 2-Chloroethanesulphonyl isocyanate

There total 2 articles about 2-Chloroethanesulphonyl isocyanate 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:

isocyanate de chlorosulfonyle (1189-71-5) + ethene (74-85-1) → isocyanate de 2-chloroethylsulfonyle (4794-41-6)

Guidance literature:

With diisopropyl peroxydicarbonate; In tetrachloromethane; at 65 - 75 ℃; for 5h;

Reference yield:

→ isocyanate de 2-chloroethylsulfonyle (4794-41-6)

Guidance literature:

ClSO2NCO, Aethylen, Azobisisobutyronitril (neben anderen Verb.);

Reference yield: 81.0%

isocyanate de 2-chloroethylsulfonyle (4794-41-6) + aniline (62-53-3) → N-(2-chloroethylsulfonyl), N'-(phenyl) uree (136963-71-8)

Guidance literature:

In chloroform;

upstream raw materials:

isocyanate de chlorosulfonyle

ethene

Downstream raw materials:

N-(2-chloroethylsulfonyl), N'-(phenyl) uree