4-Nitro-2',3',4',5',6'-pentafluorobiphenyl

Base Information

• Chemical Name: 4-Nitro-2',3',4',5',6'-pentafluorobiphenyl
• CAS No.: 14743-50-1
• Molecular Formula: C12H4F5NO2
• Molecular Weight: 289.161
• DSSTox Substance ID: DTXSID70460298
• Wikidata: Q82284300
• Mol file: 14743-50-1.mol

Synonyms:4-nitro-2',3',4',5',6'-pentafluorobiphenyl;14743-50-1;SCHEMBL1513142;DTXSID70460298;ZUHMIDACPPDCDE-UHFFFAOYSA-N;2,3,4,5,6-Pentafluoro-4'-nitrobiphenyl;2', 3', 4', 5', 6'-pentafluoro-4-nitrobiphenyl

Chemical Property of 4-Nitro-2',3',4',5',6'-pentafluorobiphenyl

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 289.01621918
• Heavy Atom Count: 20
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C(=C(C(=C2F)F)F)F)F)[N+](=O)[O-]

Technology Process of 4-Nitro-2',3',4',5',6'-pentafluorobiphenyl

There total 3 articles about 4-Nitro-2',3',4',5',6'-pentafluorobiphenyl 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: 97.0%

potassium 2,3,4,5,6-pentafluorobenzoate (58521-27-0) + 4-chlorobenzonitrile (100-00-5) → 4'-nitro-2,3,4,5-pentafluorobiphenyl (14743-50-1)

Guidance literature:

With palladium diacetate; tricyclohexylphosphine; In diethylene glycol dimethyl ether; at 130 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol100008q

Reference yield: 90.0%

4-chlorobenzonitrile (100-00-5) + potassium perfluorophenyltrifluoroborate → 4'-nitro-2,3,4,5-pentafluorobiphenyl (14743-50-1)

Guidance literature:

With palladium diacetate; potassium carbonate; silver(l) oxide; XPhos; In toluene; at 100 ℃; for 8h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.tet.2014.04.019

Reference yield:

nitrobenzene (98-95-3,26969-40-4) + 2,3,4,5,6-pentafluorobenzenediazonium tetrafluoroborate → 2,3,4,5,6-pentafluoro-3'-nitro-1,1'-biphenyl (29510-40-5) + 4'-nitro-2,3,4,5-pentafluorobiphenyl (14743-50-1) + 1,2,3,4,5-pentafluoro-6-iodobenzene (827-15-6) + pentafluorophenyl-2′-nitro-1,1′-biphenyl (25506-47-2)

Guidance literature:

With potassium iodide; In acetonitrile; Product distribution; Mechanism;

DOI:10.1039/a701745f

upstream raw materials:

nitrobenzene

potassium 2,3,4,5,6-pentafluorobenzoate

4-chlorobenzonitrile

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