Cyanomethanesulfonyl chloride

Base Information

• Chemical Name: Cyanomethanesulfonyl chloride
• CAS No.: 27869-04-1
• Molecular Formula: C2H2ClNO2S
• Molecular Weight: 139.562
• European Community (EC) Number: 803-496-4
• Nikkaji Number: J694.913D
• Mol file: 27869-04-1.mol

Synonyms:cyanomethanesulfonyl chloride;27869-04-1;Methanesulfonyl chloride, cyano-;MFCD11646184;cyanomethylsulfonylchloride;CyanomethanesulfonylChloride;cyanomethylsulfonly chloride;cyanomethylsulphonyl chloride;1-cyanomethanesulfonyl chloride;SCHEMBL1622357;QSOXEHOYDPAXTG-UHFFFAOYSA-N;CBA86904;AKOS009358334;Cyanomethanesulfonyl chloride, AldrichCPR;BS-12720;SY045335;EN300-50576;H11940;F8880-6828

Chemical Property of Cyanomethanesulfonyl chloride

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.9494772
• Heavy Atom Count: 7
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C#N)S(=O)(=O)Cl

Technology Process of Cyanomethanesulfonyl chloride

There total 3 articles about Cyanomethanesulfonyl chloride 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: 100.0%

→ cyanomethanesulfonyl chloride (27869-04-1)

Guidance literature:

Reference yield: 13.0%

chloroacetonitrile (107-14-2) → cyanomethanesulfonyl chloride (27869-04-1)

Guidance literature:

chloroacetonitrile; With sodium sulfite; In water; at 20 ℃; for 1h;

With phosphorus (III) oxychloride; phosphorus pentachloride; at 70 ℃; for 3h; Inert atmosphere;

Reference yield:

sodium cyanomethanesulfonate (27869-03-0) → cyanomethanesulfonyl chloride (27869-04-1)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate;

DOI:10.1039/j39710002151

upstream raw materials:

sodium cyanomethanesulfonate

chloroacetonitrile

Downstream raw materials:

N-[3-(trifluoromethyl)benzyl]cyanomethanesulfonamide

N-[2-(trifluoromethyl)benzyl]cyanomethanesulfonamide

N-[4-(trifluoromethyl)benzyl]cyanomethanesulfonamide

N-(4-methoxyphenyl)(cyanomethane)sulfonamide