Bis(3-nitrophenyl)sulfone

Base Information

• Chemical Name: Bis(3-nitrophenyl)sulfone
• CAS No.: 1228-53-1
• Molecular Formula: C12H8N2O6S
• Molecular Weight: 308.271
• Hs Code.: 2904909090
• European Community (EC) Number: 214-965-2
• NSC Number: 20608
• DSSTox Substance ID: DTXSID8061634
• Nikkaji Number: J168.816B
• Wikidata: Q72495814
• ChEMBL ID: CHEMBL1532617
• Mol file: 1228-53-1.mol

Synonyms:1228-53-1;Bis(3-nitrophenyl)sulfone;3,3'-Sulfonylbis(nitrobenzene);3,3'-Dinitrodiphenyl sulfone;3,3'-Dinitrodiphenylsulfone;1-nitro-3-(3-nitrophenyl)sulfonylbenzene;Bis(m-nitrophenyl)sulfone;Benzene, 1,1'-sulfonylbis[3-nitro-;Sulfone, bis(m-nitrophenyl);NSC20608;Bis(3-nitrophenyl) sulphone;EINECS 214-965-2;NSC 20608;NSC-20608;Benzene, 1,1'-sulfonylbis(3-nitro-;3-Nitrophenyl sulphone;1-nitro-3-(3-nitrobenzenesulfonyl)benzene;1-nitro-3-(3-nitrophenyl)sulfonyl-benzene;Bis(3-nitrophenyl) sulfone;Bis-(3-nitrophenyl)sulfone;3-NITROPHENYL SULFONE;MLS000391555;SCHEMBL9580710;CHEMBL1532617;DTXSID8061634;Benzene,1'-sulfonylbis[3-nitro-;3,3-DINITRODIPHENYLSULFONE;HMS2639C14;HMS3360C10;BIS-(3-NITROPHENYL)-SULFONE;MFCD00040973;AKOS001055901;AC-4578;NCGC00246041-01;AS-61836;SMR000260590;CS-0321157;FT-0623026;Z56854376

Chemical Property of Bis(3-nitrophenyl)sulfone

Chemical Property:

• Vapor Pressure: 1.28E-10mmHg at 25°C
• Melting Point: 252-255 °C
• Refractive Index: 1.637
• Boiling Point: 541.1 °C at 760 mmHg
• Flash Point: 281 °C
• PSA: 134.16000
• Density: 1.53 g/cm³
• LogP: 4.46300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 308.01030715
• Heavy Atom Count: 21
• Complexity: 463

Purity/Quality:

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

3,3'-Sulfonylbis(nitrobenzene) 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Bis(3-nitrophenyl)sulfone

There total 10 articles about Bis(3-nitrophenyl)sulfone 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: 97.0%

diphenyl sulphone (127-63-9) → 3,3'-dinitrodiphenyl sulfone (1228-53-1)

Guidance literature:

With sulfuric acid; nitric acid; at 20 ℃; for 24h;

DOI:10.1016/j.saa.2020.118466

Reference yield:

diphenyl sulfide (139-66-2) → 3,3'-dinitrodiphenyl sulfone (1228-53-1) + 4-nitrophenyl sulfone (1156-50-9) + 1-nitro-2-((3-nitrophenyl)sulfonyl)benzene (34418-84-3) + 3,4'-dinitrophenyl sulfone (34418-85-4)

Guidance literature:

With sulfuric acid; nitric acid; In dichloromethane; at 80 ℃; for 12h; Title compound not separated from byproducts;

DOI:10.1055/s-2002-31950

Reference yield:

diphenyl sulfide (139-66-2) → 3,3'-dinitrodiphenyl sulfone (1228-53-1) + 1-nitro-2-((3-nitrophenyl)sulfonyl)benzene (34418-84-3) + 3,4'-dinitrophenyl sulfone (34418-85-4)

Guidance literature:

diphenyl sulfide; With Nitrogen dioxide; In dichloromethane; at -10 ℃; for 0.25h;

With ozone; In dichloromethane; at -10 ℃;

DOI:10.1055/s-2002-31950

upstream raw materials:

diphenyl sulfide

1,1'-sulfinylbisbenzene

diphenyl sulphone

nitrobenzene

Downstream raw materials:

3,3'-diaminodiphenyl sulfone

3-(3-nitrophenylsulfonyl)aniline

Refernces

• 1、 Nose, Masatoshi,Suzuki, Hitomi. "Convenient one-pot procedure for converting aryl sulfides to nitroaryl sulfones". . p. 1065 - 1071. Retrieved 2007/10/03.