Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone

Base Information

• Chemical Name: Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone
• CAS No.: 360-74-7
• Molecular Formula: C14H6 F6 N2 O6 S
• Molecular Weight: 444.268
• NSC Number: 39136
• DSSTox Substance ID: DTXSID70284815
• Nikkaji Number: J632.938A
• Wikidata: Q82019954
• Mol file: 360-74-7.mol

Synonyms:NSC39136;Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone;360-74-7;NSC-39136;4-nitro-1-[4-nitro-2-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene;DTXSID70284815;2,2'-Di(trifluoromethyl)-4,4'-dinitrodiphenylsulfone;4-Nitro-1-([4-nitro-2-(trifluoromethyl)phenyl]sulfonyl)-2-(trifluoromethyl)benzene #

Chemical Property of Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone

Chemical Property:

• Boiling Point: 513.1°Cat760mmHg
• Flash Point: 264.1°C
• Density: 1.654g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 443.98507606
• Heavy Atom Count: 29
• Complexity: 682

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bis[4-nitro-2-[trifluoromethyl]phenyl]sulfone

There total 3 articles about Bis[4-nitro-2-[trifluoromethyl]phenyl]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: 68.0%

2,2'-bis(trifluoromethyl)-4,4'-dinitrorodiphenyl sulfide (364-06-7) → 4,4'-dinitro-2,2'-bis(trifluoromethyl)diphenyl sulphone (360-74-7)

Guidance literature:

With chromium(VI) oxide; In acetic acid; for 16h;

DOI:10.1016/0022-1139(94)03117-I

Reference yield:

4-chloro-3-(trifluoromethyl)nitrobenzene (777-37-7) → 4,4'-dinitro-2,2'-bis(trifluoromethyl)diphenyl sulphone (360-74-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: fuming HNO₃

With ethanol; nitric acid;

DOI:10.1021/ja01155a032

Reference yield:

2,2'-bis(trifluoromethyl)-4,4'-dinitrorodiphenyl sulfide (364-06-7) + dihydrogen peroxide (7722-84-1) + acetic anhydride (108-24-7) + acetic acid (64-19-7,77671-22-8) → 4,4'-dinitro-2,2'-bis(trifluoromethyl)diphenyl sulphone (360-74-7)

Guidance literature:

DOI:10.1021/ja01155a032

upstream raw materials:

2,2'-bis(trifluoromethyl)-4,4'-dinitrorodiphenyl sulfide

dihydrogen peroxide

acetic anhydride

acetic acid

Downstream raw materials:

2-Fluoro-5-nitrobenzotrifluoride

4-nitro-2-(trifluoromethyl)phenol

Refernces