Sodium 4-nitrobenzene-1-sulfinate

Base Information

• Chemical Name: Sodium 4-nitrobenzene-1-sulfinate
• CAS No.: 15959-31-6
• Molecular Formula: C₆H₄NO₄S*Na
• Molecular Weight: 209.158
• European Community (EC) Number: 845-869-4
• Mol file: 15959-31-6.mol

Synonyms:sodium 4-nitrobenzene-1-sulfinate;15959-31-6;sodium 4-nitrobenzenesulfinate;sodium;4-nitrobenzenesulfinate;SCHEMBL1584828;Sodium 4-nitro-benzenesulfinate;sodium4-nitrobenzene-1-sulfinate;YAHKQSVGVMFKMR-UHFFFAOYSA-M;EN300-192226;F77139

Chemical Property of Sodium 4-nitrobenzene-1-sulfinate

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 208.97587306
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)[O-].[Na+]

Technology Process of Sodium 4-nitrobenzene-1-sulfinate

There total 4 articles about Sodium 4-nitrobenzene-1-sulfinate 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: 71.0%

4-Nitrobenzenesulfonyl chloride (98-74-8) → sodium 4-nitrobenzenesulfinate (15959-31-6)

Guidance literature:

With sodium hydrogencarbonate; sodium sulfite; In water; at 80 ℃; for 4h;

DOI:10.1021/acs.orglett.0c02144

Reference yield: 37.0%

→ sodium 4-nitrobenzenesulfinate (15959-31-6)

Guidance literature:

Reference yield:

Toluene-4-sulfonic acid 4-nitro-benzenesulfonylmethyl ester (31081-08-0) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + sodium tosylate (657-84-1) + sodium 4-nitrobenzenesulfinate (15959-31-6)

Guidance literature:

With sodium hydroxide; cetyltrimethylammonim bromide; In water; at 32.1 ℃; Rate constant; Mechanism; solvolysis in H₂O-dioxane;

DOI:10.1021/jo00196a010

upstream raw materials:

Toluene-4-sulfonic acid 4-nitro-benzenesulfonylmethyl ester

4-Nitrobenzenesulfonyl chloride

4-nitro-benzenesulfinyl chloride

Downstream raw materials:

Methyl N-methyl-N-<(p-nitrophenylsulfonyl)-methyl>-carbamat

Methyl-(4-nitro-benzenesulfonylmethyl)-carbamic acid p-tolyl ester

Methyl-(4-nitro-benzenesulfonylmethyl)-carbamic acid 4-methoxy-phenyl ester

Methyl-(4-nitro-benzenesulfonylmethyl)-carbamic acid 4-dimethylamino-phenyl ester