Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt

Base Information

• Chemical Name: Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt
• CAS No.: 5258-64-0
• Molecular Formula: C7H7 N O5 S . Na
• Molecular Weight: 239.184
• Hs Code.: 2904909090
• European Community (EC) Number: 226-062-0
• DSSTox Substance ID: DTXSID4063743
• Mol file: 5258-64-0.mol

Synonyms:5258-64-0;Sodium 4-nitrotoluene-2-sulphonate;sodium 2-methyl-5-nitrobenzenesulfonate;Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt;EINECS 226-062-0;SODIUM 4-NITROTOLUENE-2-SULFONATE;Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt (1:1);C7H7NO5S.Na;SCHEMBL9477910;DTXSID4063743

Chemical Property of Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 111.40000
• Density: g/cm³
• LogP: 2.41130
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 238.98643775
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Technology Process of Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt

There total 1 articles about Benzenesulfonic acid, 2-methyl-5-nitro-, sodium salt 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: 98.2%

1-methyl-4-nitrobenzene (99-99-0) → 4-nitrotoluene-2-sulfonic acid sodium salt (5258-64-0)

Guidance literature:

1-methyl-4-nitrobenzene; With chlorosulfonic acid; at 115 ℃; for 3h;

With sodium carbonate; In water; at 20 ℃;

Reference yield:

4-nitrotoluene-2-sulfonic acid sodium salt (5258-64-0) → sodium salt of 5-amino-2-(2-phenylethyl)-benzenesulfonic acid (179616-10-5)

Guidance literature:

With benzaldehyde; piperazine; palladium-carbon; In N-methyl-acetamide; water;

Reference yield:

manganese (II) sulfate monohydrate + benzyl tri-n-butylammonium bromide (25316-59-0) + 4-nitrotoluene-2-sulfonic acid sodium salt (5258-64-0) → 4,4'-dinitrostilbene-2,2'-disulfonic acid disodium salt

Guidance literature:

With hydrogenchloride; sodium methylate; sodium chloride; In N-methyl-acetamide; water;

upstream raw materials:

1-methyl-4-nitrobenzene

Downstream raw materials:

sodium salt of 5-amino-2-(2-phenylethyl)-benzenesulfonic acid

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