3,3'-Dinitro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl

Base Information

• Chemical Name: 3,3'-Dinitro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl
• CAS No.: 194344-28-0
• Molecular Formula: C14H6F6N2O4
• Molecular Weight: 380.19900
• DSSTox Substance ID: DTXSID70681486
• Wikidata: Q82605544
• Mol file: 194344-28-0.mol

Synonyms:194344-28-0;3,3'-Dinitro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl;3,3'-DINITRO-5,5'-BIS(TRIFLUOROMETHYL)BIPHENYL;1-nitro-3-[3-nitro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene;DTXSID70681486;MFCD15143451;AKOS015833399;BS-23009;CS-0208572

Chemical Property of 3,3'-Dinitro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl

Chemical Property:

• PSA: 91.64000
• LogP: 6.25400
• Storage Temp.: Room temperature.
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 380.02317565
• Heavy Atom Count: 26
• Complexity: 494

Purity/Quality:

97% ^*data from raw suppliers

3,3''-Dinitro-5,5''-bis(trifluoromethyl)biphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F
• Uses: 3,3''-Dinitro-5,5''-bis(trifluoromethyl)biphenyl

Technology Process of 3,3'-Dinitro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl

There total 1 articles about 3,3'-Dinitro-5,5'-bis(trifluoromethyl)-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:

3-trifluoromethylnitrobenzene (98-46-4) → C14H6F6N2O4 (194344-28-0)

Guidance literature:

With oxygen; palladium diacetate; trifluoroacetic acid; at 90 - 150 ℃; for 20h; under 760.051 Torr;

DOI:10.1021/om300114e

upstream raw materials:

3-trifluoromethylnitrobenzene