3-Phenylsulphonylbenzenesulphonic acid

Base Information

• Chemical Name: 3-Phenylsulphonylbenzenesulphonic acid
• CAS No.: 63113-57-5
• Molecular Formula: C12H10O5S2
• Molecular Weight: 298.34
• Hs Code.: 2904100000
• European Community (EC) Number: 263-863-4
• UNII: F72EAJ8RSM
• DSSTox Substance ID: DTXSID70212451
• Nikkaji Number: J307.198G
• Wikidata: Q83087583
• Mol file: 63113-57-5.mol

Synonyms:3-Phenylsulphonylbenzenesulphonic acid;63113-57-5;3-(phenylsulfonyl)benzenesulfonic acid;F72EAJ8RSM;EINECS 263-863-4;3-PHENYLSULFONYLBENZENESULFONIC ACID;3-(benzenesulfonyl)benzenesulfonic acid;UNII-F72EAJ8RSM;SCHEMBL415483;DTXSID70212451;C12H10O5S2;C12-H10-O5-S2;Benzenesulfonic acid, 3-(phenylsulfonyl)-;M-PHENYLSULFONYLBENZENESULFONIC ACID

Chemical Property of 3-Phenylsulphonylbenzenesulphonic acid

Chemical Property:

• Refractive Index: 1.621
• PKA: -1.13±0.30(Predicted)
• PSA: 105.27000
• Density: 1.487 g/cm³
• LogP: 3.92770
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 297.99696576
• Heavy Atom Count: 19
• Complexity: 491

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)C2=CC(=CC=C2)S(=O)(=O)O

Technology Process of 3-Phenylsulphonylbenzenesulphonic acid

There total 4 articles about 3-Phenylsulphonylbenzenesulphonic acid 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:

diphenyl sulphone (127-63-9) → 3-sulfodiphenyl sulfone (63113-57-5)

Guidance literature:

With chlorosulfonic acid; at 150 ℃;

Reference yield:

diphenyl sulphone (127-63-9) → 3,3'-disulfodiphenyl sulfone (7566-34-9) + 3-sulfodiphenyl sulfone (63113-57-5)

Guidance literature:

With sulfur trioxide; water; Product distribution; multistep reaction; various reaction conditions;

DOI:10.1002/recl.19941130906

Reference yield:

chlorosulfonic acid (7790-94-5) + diphenyl sulphone (127-63-9) → 3,3'-disulfodiphenyl sulfone (7566-34-9) + 3-sulfodiphenyl sulfone (63113-57-5)

Guidance literature:

at 150 - 160 ℃;

upstream raw materials:

diphenyl sulphone

chlorosulfonic acid

sulfuric acid

Downstream raw materials:

thiophenol

phenol

chlorosulfonic acid

carbon dioxide

Refernces

• 1、 Yablonskii,Tarasov,Moskvichev. "Synthesis of new sulfonyl chlorides on the basis of substituted diphenyl sulfones". . p. 60 - 63. Retrieved 2007/10/03.