2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl

Base Information

• Chemical Name: 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl
• CAS No.: 3905-96-2
• Molecular Formula: C12F8 N2 O4
• Molecular Weight: 388.13
• Hs Code.: 2904909090
• European Community (EC) Number: 223-462-7
• DSSTox Substance ID: DTXSID30192301
• Nikkaji Number: J217.749H
• Wikidata: Q83064952
• Mol file: 3905-96-2.mol

Synonyms:3905-96-2;2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl;EINECS 223-462-7;4,4'-Dinitrooctafluorobiphenyl;1,1'-Biphenyl, 2,2',3,3',5,5',6,6'-octafluoro-4,4'-dinitro-;1,2,4,5-tetrafluoro-3-nitro-6-(2,3,5,6-tetrafluoro-4-nitrophenyl)benzene;C12F8N2O4;DTXSID30192301;C12-F8-N2-O4;2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl #

Chemical Property of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl

Chemical Property:

• Boiling Point: 404.3°Cat760mmHg
• Flash Point: 198.3°C
• PSA: 91.64000
• Density: 1.83g/cm³
• LogP: 5.32920
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 1
• Exact Mass: 387.97303178
• Heavy Atom Count: 26
• Complexity: 482

Purity/Quality:

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(=C1F)F)[N+](=O)[O-])F)F)C2=C(C(=C(C(=C2F)F)[N+](=O)[O-])F)F

Technology Process of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl

There total 6 articles about 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-dinitro-1,1'-biphenyl 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: 46.0%

→ 4,4'-dinitrooctafluorodiphenyl (3905-96-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 - 25 ℃; for 5h; Inert atmosphere;

Reference yield: 11.0%

pentafluoronitrobenzen (880-78-4) → 4,4'-dinitrooctafluorodiphenyl (3905-96-2) + 4-amino-4'-nitrooctafluorobiphenyl

Guidance literature:

N,N,N,N-tetraethylammonium tetrafluoroborate; In acetonitrile; electrolysis;

DOI:10.1016/S0040-4020(01)81343-0

Reference yield:

octafluorobenzidine (1038-66-0) → 4,4'-dinitrooctafluorodiphenyl (3905-96-2)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane;

upstream raw materials:

pentafluoronitrobenzen

octafluorobenzidine

decafluorobiphenyl

1-bromo-2,3,5,6-tetrafluoro-4-nitrobenzene

Refernces

• 1、 Andrieux, Claude P.,Batlle, Anna,Espin, Martirio,Gallardo, Iluminada,Jiang, Ziqi,Marquet, Jorge. "Mechanistic Studies on the Electrochemical Reductive Coupling of some Polyhalogenonitrobenzenes. A New Example of a Radical Anion Dimerization". . p. 6913 - 6920. Retrieved 2007/10/02.