Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-

Base Information

• Chemical Name: Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-
• CAS No.: 137-48-4
• Molecular Formula: C7H7ClN2O4S
• Molecular Weight: 250.663
• Hs Code.: 2935009090
• European Community (EC) Number: 205-296-7
• DSSTox Substance ID: DTXSID9059672
• Nikkaji Number: J30.822F
• Wikidata: Q72454382
• ChEMBL ID: CHEMBL50404
• Mol file: 137-48-4.mol

Synonyms:137-48-4;4-chloro-n-methyl-3-nitrobenzenesulfonamide;Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-;2-Nitrochlorobenzene-4-sulfomethyl amide;EINECS 205-296-7;4-chloro-N-methyl-3-nitrobenzene-1-sulfonamide;CHEMBL50404;4-Chloro-N-methyl-3-nitrobenzenesulphonamide;4-Chloro-N-methyl-3-nitrobenzene sulfonamide;4-Chloro-N-methyl-3-nitro-benzenesulfonamide;SCHEMBL686821;DTXSID9059672;BDBM50101955;MFCD00035884;AKOS001052614;CS-0307742;FT-0710883;EN300-06187;F15558;SR-01000044001;SR-01000044001-1;W-109491;Z45527655

Chemical Property of Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-

Chemical Property:

• Vapor Pressure: 2.29E-06mmHg at 25°C
• Refractive Index: 1.582
• Boiling Point: 392.5°Cat760mmHg
• Flash Point: 191.2°C
• PSA: 100.37000
• Density: 1.53g/cm³
• LogP: 3.15120
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 249.9815056
• Heavy Atom Count: 15
• Complexity: 334

Purity/Quality:

98% ^*data from raw suppliers

(4-Chloro-3-nitrobenzoyl)sulfamicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-

There total 3 articles about Benzenesulfonamide, 4-chloro-N-methyl-3-nitro- 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: 72.1%

→ 2-chloro-5-(N-methylsulfamoyl)-nitrobenzene (137-48-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -40 - 20 ℃; for 1h;

Reference yield: 65.0%

3-nitro-4-chlorosulfonyl chloride (97-08-5) + methylamine hydrochloride (593-51-1) → 2-chloro-5-(N-methylsulfamoyl)-nitrobenzene (137-48-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -40 - 20 ℃; for 1h;

Reference yield:

3-nitro-4-chlorosulfonyl chloride (97-08-5) + methylamine (74-89-5) → 2-chloro-5-(N-methylsulfamoyl)-nitrobenzene (137-48-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 1h;

upstream raw materials:

3-nitro-4-chlorosulfonyl chloride

methylamine

methylamine hydrochloride

Downstream raw materials:

4-Cyclohexylideneaminooxy-N-methyl-3-nitro-benzenesulfonamide

3-Nitro-4-(4-chlor-phenylmercapto)-benzolsulfonsaeure-methylamid

N-methyl-4-(methyloxy)-3-nitrobenzenesulfonamide

4-(dimethylamino)-N-methyl-3-nitrobenzene-1-sulfonamide