2,4-Dinitrophenyl sulfone

Base Information

• Chemical Name: 2,4-Dinitrophenyl sulfone
• CAS No.: 2486-12-6
• Molecular Formula: C₁₂H₆N₄O₁₀S
• Molecular Weight: 398.266
• European Community (EC) Number: 632-631-8
• NSC Number: 122653
• UNII: TV4S6W6H6F
• DSSTox Substance ID: DTXSID80179561
• Nikkaji Number: J795.938I
• Wikidata: Q83050095
• Mol file: 2486-12-6.mol

Synonyms:2,4-Dinitrophenyl sulfone;Sulfone, bis(2,4-dinitrophenyl);NSC122653;2486-12-6;NSC-122653;TV4S6W6H6F;Benzene, 1,1'-sulfonylbis(2,4-dinitro-;NSC 122653;BRN 2572378;UNII-TV4S6W6H6F;1-(2,4-dinitrophenyl)sulfonyl-2,4-dinitrobenzene;SCHEMBL1970447;DTXSID80179561;2,2',4,4'-Tetranitrodiphenylsulfone;AKOS003235585;1,1'-sulfonylbis(2,4-dinitrobenzene);4-06-00-01750 (Beilstein Handbook Reference);1-(2,4-dinitrophenyl)sulfonyl-2,4-dinitro-benzene

Chemical Property of 2,4-Dinitrophenyl sulfone

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 397.98046357
• Heavy Atom Count: 27
• Complexity: 672

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,4-Dinitrophenyl sulfone

There total 7 articles about 2,4-Dinitrophenyl 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:

bis-(2,4-dinitro-phenyl)-sulfide (2253-67-0) → bis-(2,4-dinitro-phenyl) sulfone (2486-12-6)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1080/01615440309601219

Reference yield:

2,2',4,4'-tetranitrodiphenylsulfoxide (52427-27-7) → bis-(2,4-dinitro-phenyl) sulfone (2486-12-6)

Guidance literature:

With potassium dichromate; sulfuric acid;

DOI:10.1080/01615440309601219

Reference yield:

sulfuric acid (7664-93-9) + bis-(2,4-dinitro-phenyl)-sulfide (2253-67-0) → bis-(2,4-dinitro-phenyl) sulfone (2486-12-6)

Guidance literature:

DOI:10.1080/01615440309601219

upstream raw materials:

bis-(2,4-dinitro-phenyl)-sulfide

2,2',4,4'-tetranitrodiphenylsulfoxide

acetic acid

sulfuric acid

Downstream raw materials:

bis-(2,4-diamino-phenyl)-sulfone

potassium 2,4-dinitrophenolate

potassium 2,4-dinitrobenzensulfinate