m-Aminophenyl benzenesulphonate

Base Information

• Chemical Name: m-Aminophenyl benzenesulphonate
• CAS No.: 26408-93-5
• Molecular Formula: C26H40 O3
• Molecular Weight: 249.29
• Hs Code.: 2922199090
• European Community (EC) Number: 247-677-0
• DSSTox Substance ID: DTXSID30885347
• Nikkaji Number: J248.934A
• Wikidata: Q82863969
• Mol file: 26408-93-5.mol

Synonyms:m-Aminophenyl benzenesulphonate;26408-93-5;Phenol, 3-amino-, 1-benzenesulfonate;Phenol, 3-amino-, benzenesulfonate (ester);EINECS 247-677-0;SCHEMBL6666074;DTXSID30885347;Benzenesulfonic acid 3-aminophenyl ester;W-110659

Chemical Property of m-Aminophenyl benzenesulphonate

Chemical Property:

• Vapor Pressure: 2.46E-08mmHg at 25°C
• Boiling Point: 451.3°Cat760mmHg
• Flash Point: 226.7°C
• PSA: 77.77000
• Density: 1.344g/cm³
• LogP: 3.69850
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.04596439
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N

Technology Process of m-Aminophenyl benzenesulphonate

There total 3 articles about m-Aminophenyl benzenesulphonate 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: 93.0%

benzenesulfonyl chloride (98-09-9) + m-Hydroxyaniline (591-27-5) → 3-Aminophenyl-benzolsulfonat (26408-93-5)

Guidance literature:

With sodium hydroxide; sodium carbonate; Hoe S 2706-1; In water; chlorobenzene; at 35 - 40 ℃; for 2h; pH 10.5 -10.8;

DOI:10.1055/s-1980-29131

Reference yield: 30.0%

benzenesulfonyl chloride (98-09-9) + m-Hydroxyaniline (591-27-5) → 3-Aminophenyl-benzolsulfonat (26408-93-5) + 1-Benzolsulfamino-3-benzolsulfoxy-benzol (75383-59-4) + N-(3-hydroxyphenyl)-p-toluenesulfonylamide (59149-19-8) + benzenesulfonic acid (98-11-3)

Guidance literature:

With sodium hydroxide; sodium carbonate; In water; at 35 - 40 ℃; Product distribution; other solvents, other catalysts;

DOI:10.1055/s-1980-29131

Reference yield:

→ 3-Aminophenyl-benzolsulfonat (26408-93-5)

Guidance literature:

1-Nitro-3-benzolsulfoxy-benzol, Me., Raney-Ni, Hydrazinhydrat, Kochen;

upstream raw materials:

benzenesulfonyl chloride

m-Hydroxyaniline

Downstream raw materials:

disperse yellow 114

Refernces