Benzenesulfonic acid, 4-[(chlorocarbonyl)oxy]-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-[(chlorocarbonyl)oxy]-
• CAS No.: 133824-08-5
• Molecular Formula: C7H5ClO5S
• Molecular Weight: 236.633
• DSSTox Substance ID: DTXSID70447307
• Wikidata: Q82266164
• Mol file: 133824-08-5.mol

Synonyms:Benzenesulfonic acid, 4-[(chlorocarbonyl)oxy]-;133824-08-5;4-Sulfophenyl Chloroformate;SCHEMBL8898623;DTXSID70447307;ZUGNKRAPCWUNRZ-UHFFFAOYSA-N

Chemical Property of Benzenesulfonic acid, 4-[(chlorocarbonyl)oxy]-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 235.9546221
• Heavy Atom Count: 14
• Complexity: 299

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(=O)Cl)S(=O)(=O)O

Technology Process of Benzenesulfonic acid, 4-[(chlorocarbonyl)oxy]-

There total 1 articles about Benzenesulfonic acid, 4-[(chlorocarbonyl)oxy]- 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:

phenyl chloroformate (1885-14-9) → 4-sulfophenylchloroformate (133824-08-5)

Guidance literature:

With calcium sulfate; sulfur trioxide; In dichloromethane;

Reference yield:

4-sulfophenylchloroformate (133824-08-5) + disodium 4-hydroxybenzene-1,3-disulfonate → p-hydoroxybenzenesulfonic acid (98-67-9) + 4-hydroxy-benzene-1,3-disulfonic acid (96-77-5) + bis(4-sulfophenyl)carbonate + (2,4-disulfophenyl)(4'-sulfophenyl)carbonate

Guidance literature:

With sodium hydroxide; Mechanism;

DOI:10.1366/0003702953964291

Reference yield:

choline chloride (67-48-1) + 4-sulfophenylchloroformate (133824-08-5) → cholyl 4-sulfophenyl carbonate

Guidance literature:

With calcium sulfate;

upstream raw materials:

phenyl chloroformate

Downstream raw materials:

p-hydoroxybenzenesulfonic acid

4-hydroxy-benzene-1,3-disulfonic acid

Refernces