Methanesulfonyl isocyanate

Base Information

• Chemical Name: Methanesulfonyl isocyanate
• CAS No.: 3611-92-5
• Molecular Formula: C2H3NO3S
• Molecular Weight: 121.117
• Hs Code.: 2929109000
• European Community (EC) Number: 834-621-0
• DSSTox Substance ID: DTXSID60506250
• Nikkaji Number: J356.297B
• Mol file: 3611-92-5.mol

Synonyms:Methanesulfonyl isocyanate;3611-92-5;N-(oxomethylidene)methanesulfonamide;methanesulfonylisocyanate;methylsulfonyl isocyanate;Methylsulphonyl isocyanate;(methylsulfonyl) isocyanate;C2H3NO3S;SCHEMBL23215;DTXSID60506250;OUPLTJDZPQZRBW-UHFFFAOYSA-N;MFCD16300697;AKOS016362449;NS-01025;EN300-157988;F2163-0137

Chemical Property of Methanesulfonyl isocyanate

Chemical Property:

• Melting Point: 29.5-31 °C
• Boiling Point: 55 °C(Press: 2 Torr)
• PSA: 71.95000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 0.36260
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 120.98336413
• Heavy Atom Count: 7
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

Methanesulfonylisocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)N=C=O

Technology Process of Methanesulfonyl isocyanate

There total 2 articles about Methanesulfonyl 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:

methanesulfonyl chloride (124-63-0) → methanesulfonyl isocyanate (3611-92-5) + Methanesulfonic anhydride (7143-01-3)

Guidance literature:

With silver cyanate; at 120 ℃;

Reference yield:

silver cyanate (3315-16-0) + methanesulfonyl chloride (124-63-0) → methanesulfonyl isocyanate (3611-92-5) + Methanesulfonic anhydride (7143-01-3)

Guidance literature:

at 120 ℃;

Reference yield: 98.0%

methanesulfonyl isocyanate (3611-92-5) + 1-cyclohexyl-2-(prop-1-en-2-yl)aziridine (1359843-43-8) → C13H22N2O3S (1359843-36-9)

Guidance literature:

In dichloromethane; at 0 ℃; for 0.0833333h;

DOI:10.1021/jo201959a

upstream raw materials:

silver cyanate

methanesulfonyl chloride

Downstream raw materials:

N-[2-(Dimethyl-hydrazono)-2-phenyl-acetyl]-methanesulfonamide

p-Methoxyphenyl-glyoxylsaeure-methylsulfonamid-N,N-dimethylhydrazon

N-[2-(Dimethyl-hydrazono)-2-(4-nitro-phenyl)-acetyl]-methanesulfonamide

p-Methoxyphenyl-glyoxylsaeure-p-tolylsulfonamid-N,N-dicyclohexylhydrazon