Benzenesulfonic acid, 4-(phenylamino)-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-(phenylamino)-
• CAS No.: 101-57-5
• Molecular Formula: C12H11NO3S
• Molecular Weight: 249.29
• Hs Code.: 2921499090
• European Community (EC) Number: 202-955-0
• NSC Number: 73722
• UNII: 6E5XPH8BY9
• DSSTox Substance ID: DTXSID1059234
• Nikkaji Number: J182.144J
• Wikidata: Q27264654
• Mol file: 101-57-5.mol

Synonyms:diphenylamine-4-sulfonic acid;sodium diphenylamine sulfonate;sulfodiphenylamine

Chemical Property of Benzenesulfonic acid, 4-(phenylamino)-

Chemical Property:

• Melting Point: 206°C
• Refractive Index: 1.655
• PKA: -1.33±0.50(Predicted)
• PSA: 74.78000
• Density: 1.398 g/cm³
• LogP: 3.83070
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.04596439
• Heavy Atom Count: 17
• Complexity: 322

Purity/Quality:

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

DIPHENYLAMINE-4-SULFONIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Indicator Dyes
• Canonical SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)O

Technology Process of Benzenesulfonic acid, 4-(phenylamino)-

There total 12 articles about Benzenesulfonic acid, 4-(phenylamino)- 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: 92.0%

iodobenzene (591-50-4) + 4-aminobenzene sulfonic acid (121-57-3,856062-06-1) → 4-(phenylamino)benzenesulphonic acid (101-57-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 5h;

DOI:10.1039/d1nj03468e

Reference yield: 92.0%

bromobenzene (108-86-1,52753-63-6) + 4-aminobenzene sulfonic acid (121-57-3,856062-06-1) → 4-(phenylamino)benzenesulphonic acid (101-57-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 6h;

DOI:10.1039/d1nj03468e

Reference yield: 90.0%

chlorobenzene (108-90-7) + 4-aminobenzene sulfonic acid (121-57-3,856062-06-1) → 4-(phenylamino)benzenesulphonic acid (101-57-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 7h;

DOI:10.1039/d1nj03468e

upstream raw materials:

N,N-diphenylacetamide

sulfuric acid dibutyl ester

diphenylamine

disperse orange 1

Downstream raw materials:

4-(phenylamino)benzenesulfonyl azide

sulfuric acid

diphenylamine

Refernces

• 1、 Kapoor, Inder Pal Singh,Kapoor, Manisha,Singh, Gurdip. "Thermolysis of hydrogen sulphate, nitrate and perchlorate salts of diphenylamine. Part LXVIII". experimental part. p. 723 - 728. Retrieved 2011/02/18.