Picryl sulfone

Base Information

• Chemical Name: Picryl sulfone
• CAS No.: 10580-80-0
• Molecular Formula: C12H4N6O14S
• Molecular Weight: 488.262
• Hs Code.: 2904909090
• European Community (EC) Number: 234-178-8
• DSSTox Substance ID: DTXSID6065131
• Nikkaji Number: J227.007B
• Wikidata: Q81992008
• Mol file: 10580-80-0.mol

Synonyms:Picryl sulfone;Dipicryl sulfone;10580-80-0;Bis(2,4,6-trinitrophenyl) sulphone;1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfonylbenzene;EINECS 234-178-8;Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-;Benzene, 1,1'-sulfonylbis[2,4,6-trinitro-;Benzene,1,1'-sulfonylbis[2,4,6-trinitro-;SCHEMBL3310402;DTXSID6065131;C12H4N6O14S;Bis(2,4,6-trinitrophenyl) sulfone;C12-H4-N6-O14-S

Chemical Property of Picryl sulfone

Chemical Property:

• Vapor Pressure: 5.17E-19mmHg at 25°C
• Refractive Index: 1.702
• Boiling Point: 706.9 °C at 760 mmHg
• Flash Point: 381.3 °C
• PSA: 317.44000
• Density: 1.962 g/cm³
• LogP: 6.18860
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 2
• Exact Mass: 487.95062000
• Heavy Atom Count: 33
• Complexity: 842

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Picryl sulfone

There total 4 articles about Picryl 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:

dipicryl sulfide (2217-06-3) → bis(2,4,6-trinitrophenyl) sulfone (10580-80-0)

Guidance literature:

With chromium(VI) oxide; nitric acid;

Reference yield:

2,4,6-trinitrochlorobenzene (88-88-0) → bis(2,4,6-trinitrophenyl) sulfone (10580-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium thiosulfate

2: CrO₃; nitric acid

With chromium(VI) oxide; nitric acid; sodium thiosulfate;

Reference yield:

dipicryl sulfide (2217-06-3) + nitric acid (7697-37-2,78989-43-2) → bis(2,4,6-trinitrophenyl) sulfone (10580-80-0)

Guidance literature:

upstream raw materials:

dipicryl sulfide

nitric acid

2,4,6-trinitrochlorobenzene

Downstream raw materials:

1,3,5-trinitrobenzene

trinitro-2,4,6 diphenylamine

aniline; compound with 1,3,5-trinitro-benzene

N,N-dimethyl-2,4,6-trinitro-aniline