Methylsulfamic acid

Base Information

• Chemical Name: Methylsulfamic acid
• CAS No.: 4112-03-2
• Molecular Formula: CH5NO3S
• Molecular Weight: 111.122
• Hs Code.: 29299090
• NSC Number: 54922
• DSSTox Substance ID: DTXSID00961445
• Nikkaji Number: J224.916B
• Wikidata: Q82942871
• Mol file: 4112-03-2.mol

Synonyms:Methylsulfamic acid;4112-03-2;Methylsulamic acid;methyl sulfamic acid;Sulfamic acid, methyl-;NSC54922;MFCD00010870;Methylsulfamic acid, 98%;SCHEMBL28335;SCHEMBL8818424;MYMDOKBFMTVEGE-UHFFFAOYSA-;DTXSID00961445;NSC-54922;AKOS005255225;BS-44091;FT-0635137;M1083;T72441

Chemical Property of Methylsulfamic acid

Chemical Property:

• Appearance/Colour: white crystal or crystalline powder
• Melting Point: 191 °C
• Refractive Index: 1.482
• Boiling Point: 256.7oC at 760mmHg
• PKA: -8.47±0.27(Predicted)
• Flash Point: 109.1oC
• PSA: 74.78000
• Density: 1.534 g/cm³
• LogP: 0.48030
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 110.99901420
• Heavy Atom Count: 6
• Complexity: 107

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methylsulfamic Acid >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)O
• Uses: Methylsulfamic acid has been used in the preparation of nitroaroyl- or nitroarylsulphonyl-sulphamic acids via condensation reaction with certain nitroaroyl and nitroarylsulphonyl chlorides.

Technology Process of Methylsulfamic acid

There total 12 articles about Methylsulfamic acid 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: 98.0%

N,N'-Dimethylurea (96-31-1) → N-methylsulfamic acid (4112-03-2)

Guidance literature:

With sulfuric acid; sulfur trioxide; In 1,2-dichloro-ethane; Product distribution; 1.) r.t., 15 min; 2.) 70-80 deg C; effect of oleum concentration in different solvents, influence of the temperature of dissolution of sulfuric acid, influence of reaction temperature on the yield;

Reference yield:

Ethyl N-methylcarbamate (105-40-8) → N-methylsulfamic acid (4112-03-2)

Guidance literature:

With sulfuric acid; sulfur trioxide;

DOI:10.1021/ja01102a040

Reference yield:

methylamine (74-89-5) → N-methylsulfamic acid (4112-03-2)

Guidance literature:

With potassium fluorosulfonate; water;

upstream raw materials:

N,N'-Dimethylurea

Ethyl N-methylcarbamate

methylamine

methyl isocyanate

Downstream raw materials:

sulfuric acid

methylamine

2,4-dichloro-5-chlorosulfonylbenzoic acid N-methylamide

N-methylsulfamoyl chloride

Refernces

• 1、 -. "Indole, azaindole and related heterocyclic sulfonylureido piperazine derivatives". Page/Page column 33. . Retrieved 2010/02/05.