Benzenesulfonic Anhydride

Base Information

• Chemical Name: Benzenesulfonic Anhydride
• CAS No.: 512-35-6
• Molecular Formula: C12H10O5S2
• Molecular Weight: 298.34
• European Community (EC) Number: 678-047-7
• UNII: 39429EW0CD
• DSSTox Substance ID: DTXSID60462781
• Nikkaji Number: J7.417I
• Wikidata: Q27256845
• Mol file: 512-35-6.mol

Synonyms:Benzenesulfonic Anhydride;512-35-6;Benzenesulfonic acid, anhydride;benzenesulfonyl benzenesulfonate;Benzenesulfonyl anhydride;Benzenesulfonic anhydride [MI];Benzenesulfonic acid 1,1'-anhydride;UNII-39429EW0CD;39429EW0CD;BENZENESULFONICANHYDRIDE;Benzolsulfosaureanhydrid;SCHEMBL576427;DTXSID60462781;MLWPJXZKQOPTKZ-UHFFFAOYSA-N;MFCD00054601;AKOS015840638;BS-23475;B1931;CS-0206814;FT-0632256;T70984;Q27256845

Chemical Property of Benzenesulfonic Anhydride

Chemical Property:

• Vapor Pressure: 2.46E-08mmHg at 25°C
• Melting Point: 60-85° (softens about 55°); mp 88-91° (softens about 75°)
• Refractive Index: 1.599
• Boiling Point: 463.7°Cat760mmHg
• Flash Point: 234.3°C
• PSA: 94.27000
• Density: 1.439g/cm³
• LogP: 3.94240
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 297.99696576
• Heavy Atom Count: 19
• Complexity: 425

Purity/Quality:

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

Benzenesulfonic Anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=CC=C2
• Uses: In Friedel-Crafts sulfone synthesis; in other sulfonylation reactions.

Technology Process of Benzenesulfonic Anhydride

There total 16 articles about Benzenesulfonic Anhydride 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: 75.0%

benzene-sulfonic acid monohydrate (26158-00-9,5928-72-3) → benzenesulfonic anhydride (512-35-6)

Guidance literature:

With thionyl chloride; In benzene; for 3h; Heating;

DOI:10.1021/jo0206521

Reference yield: 45.0%

trimethylsilyl benzenesulfonate (17882-06-3) + Benzolpyrosulfonsaeure-trimethylsilylester (81293-11-0) → benzenesulfonic anhydride (512-35-6) + Bis(trimethylsilyl)sulfat

Guidance literature:

at 80 ℃; for 3h;

Reference yield:

benzenesulfonyl chloride (98-09-9) → benzenesulfonic anhydride (512-35-6) + benzenesulphonyl isocyanate (2845-62-7)

Guidance literature:

at 140 ℃;

upstream raw materials:

tetrachloromethane

acetone oxime-o-benzenesulfonic ester

oxalic acid

benzenesulfonyl chloride

Downstream raw materials:

1-Bromo-2-phenylacetylene

1-bromo-4-(phenylsulphonyl)benzene

Ethyl benzenesulfonate

benzenesulfonic acid