4-Fluoro-4'-nitro-1,1'-biphenyl

Base Information

• Chemical Name: 4-Fluoro-4'-nitro-1,1'-biphenyl
• CAS No.: 398-24-3
• Molecular Formula: C12H8 F N O2
• Molecular Weight: 217.199
• Hs Code.: 2904909090
• European Community (EC) Number: 206-911-1
• NSC Number: 73091
• UNII: VYS674ML5E
• DSSTox Substance ID: DTXSID80192871
• Wikidata: Q83065543
• Mol file: 398-24-3.mol

Synonyms:4-Fluoro-4'-nitro-1,1'-biphenyl;398-24-3;4-fluoro-4'-nitrobiphenyl;1-(4-fluorophenyl)-4-nitrobenzene;VYS674ML5E;EINECS 206-911-1;NSC-73091;C12H8FNO2;4'-Fluoro-4-nitro-biphenyl;NSC73091;UNII-VYS674ML5E;NCIOpen2_003560;SCHEMBL2961612;DTXSID80192871;MFCD00039743;NSC 73091;1-(4-fluorophenyl)-4-nitro-benzene;1,1'-Biphenyl, 4-fluoro-4'-nitro-;4-NITRO-4'-FLUORO-1,1'-BIPHENYL;A825722

Chemical Property of 4-Fluoro-4'-nitro-1,1'-biphenyl

Chemical Property:

• Boiling Point: 337.3°Cat760mmHg
• Flash Point: 157.8°C
• PSA: 45.82000
• Density: 1.271g/cm³
• LogP: 3.92410
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 217.05390666
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

4'-FLUORO-4-NITROBIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)F)[N+](=O)[O-]

Technology Process of 4-Fluoro-4'-nitro-1,1'-biphenyl

There total 35 articles about 4-Fluoro-4'-nitro-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: 100.0%

4-fluoroboronic acid (1765-93-1) + 4-chlorobenzonitrile (100-00-5) → 4-fluoro-4'-nitro-1,1'-biphenyl (398-24-3)

Guidance literature:

With tetrabutyl ammonium fluoride; tricyclohexylphosphine; dichloro bis(acetonitrile) palladium(II); at 85 - 90 ℃; for 5h;

DOI:10.1080/00397910701412828

Reference yield: 98.0%

4-fluoroboronic acid (1765-93-1) + para-nitrophenyl bromide (586-78-7) → 4-fluoro-4'-nitro-1,1'-biphenyl (398-24-3)

Guidance literature:

With C₃₀H₃₈Cl₂N₈Pd⁽²⁺⁾*2Cl^(1-); tetrabutylammomium bromide; potassium carbonate; In water; at 60 ℃; for 12h;

DOI:10.1016/j.tetlet.2011.05.079

Reference yield: 98.0%

para-nitrophenyl bromide (586-78-7) + 2-(4-fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane (225916-39-2) → 4-fluoro-4'-nitro-1,1'-biphenyl (398-24-3)

Guidance literature:

With sodium carbonate; palladium on activated charcoal; In ethanol; water; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2007.08.017

upstream raw materials:

p-nitrobenzene iodide

fluorobenzene

4,4'-dinitrobiphenyl

4-nitrobenzenediazonium tetrafluoroborate

Downstream raw materials:

4-nitro-benzoic acid

2-(4’-fluoro-[1,1’-biphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4-fluoro-biphenyl

4-amino-4'-fluorobiphenyl

Refernces

• 1、 Enright, Dale R.,Gogate, Akash R.,Smoliakova, Irina P.,Vasireddy, Purna C. R.. "Palladium-catalyzed aryl group transfer from triarylphosphines to arylboronic acids". . . Retrieved 2021/11/11.
• 2、 Grimme, Stefan,H?ger, Sigurd,Jester, Stefan-S.,Jochemich, Anna,Keller, Tristan J.,Kr?nert, Anna,Müller, Ute,Poluektov, Georgiy,Spicher, Sebastian. "Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze". supporting information. p. 27264 - 27270. Retrieved 2021/11/30.