4,4'-Dinitro-3,3'-bis(trifluoromethyl)-1,1'-biphenyl

Base Information

• Chemical Name: 4,4'-Dinitro-3,3'-bis(trifluoromethyl)-1,1'-biphenyl
• CAS No.: 363-95-1
• Molecular Formula: C₁₄H₆F₆N₂O₄
• Molecular Weight: 380.203
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID70493566
• Nikkaji Number: J2.306.310G
• Wikidata: Q72472487
• Mol file: 363-95-1.mol

Synonyms:363-95-1;4,4'-Dinitro-3,3'-bis(trifluoromethyl)-1,1'-biphenyl;4,4'-Dinitro-3,3'-bis(trifluoromethyl)biphenyl;1-nitro-4-[4-nitro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;DTXSID70493566;MFCD08282786;AKOS005067134;BS-23190;CS-0212449;FT-0744530

Chemical Property of 4,4'-Dinitro-3,3'-bis(trifluoromethyl)-1,1'-biphenyl

Chemical Property:

• Boiling Point: 429.974 °C at 760 mmHg
• Flash Point: 213.841 °C
• PSA: 91.64000
• Density: 1.549 g/cm³
• LogP: 6.25400
• Storage Temp.: 2-8°C
• 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:

99% ^*data from raw suppliers

4,4''-Dinitro-3,3''-bis(trifluoromethyl)biphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(F)(F)F)[N+](=O)[O-]
• Uses: 4,4''-Dinitro-3,3''-bis(trifluoromethyl)biphenyl

Technology Process of 4,4'-Dinitro-3,3'-bis(trifluoromethyl)-1,1'-biphenyl

There total 6 articles about 4,4'-Dinitro-3,3'-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:

5-chloro-2-nitrotrifluoromethylbenzene (118-83-2) → 4,4'-dinitro-3,3'-bis-trifluoromethyl-biphenyl (363-95-1)

Guidance literature:

With sodium; In toluene;

DOI:10.1021/jo00430a025

Reference yield:

4-iodo-1-nitro-2-(trifluoromethyl)benzene (393-10-2) → 4,4'-dinitro-3,3'-bis-trifluoromethyl-biphenyl (363-95-1)

Guidance literature:

With copper; at 300 ℃;

DOI:10.1039/jr9510003459

Reference yield:

3,3'-bis(trifluoromethyl)biphenyl (580-82-5) → 4,4'-dinitro-3,3'-bis-trifluoromethyl-biphenyl (363-95-1)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1039/jr9540001071

upstream raw materials:

3,3'-bis(trifluoromethyl)biphenyl

4-iodo-1-nitro-2-(trifluoromethyl)benzene

5-chloro-2-nitrotrifluoromethylbenzene

m-trifluoromethylphenyl iodide

Downstream raw materials:

3,3'-Bis-trifluormethyl-benzidin