1-Bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene

Base Information

• Chemical Name: 1-Bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene
• CAS No.: 1038-65-9
• Molecular Formula: C12BrF9
• Molecular Weight: 395.022
• DSSTox Substance ID: DTXSID30401546
• Wikidata: Q82204713
• Mol file: 1038-65-9.mol

Synonyms:1038-65-9;1-bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene;1,1'-Biphenyl, 4-bromo-2,2',3,3',4',5,5',6,6'-nonafluoro-;4-BROMO-2,2',3,3',4',5,5',6,6'-NONAFLUORO-1,1'-BIPHENYL;SCHEMBL15757751;4-bromononafluoro-1,1'-biphenyl;DTXSID30401546;AKOS021983663;1,1'-Biphenyl,4-bromo-2,2',3,3',4',5,5',6,6'-nonafluoro-

Chemical Property of 1-Bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 393.90397
• Heavy Atom Count: 22
• Complexity: 367

Purity/Quality:

98.5% ^*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)F)F)F)C2=C(C(=C(C(=C2F)F)Br)F)F

Technology Process of 1-Bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene

There total 3 articles about 1-Bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene 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: 70.0%

nonafluoro-1,1′-biphenyl-4-thiol (328534-10-7) → 4,4'-dibromo-2,3,5,6,2',3',5',6'-octafluoro-1,1'-biphenyl (10386-84-2) + 4-bromo-2,2',3,3',4',5,5',6,6'-nonafluoro-1,1'-biphenyl (1038-65-9)

Guidance literature:

With bromine; at 500 - 505 ℃; for 24h; Flow reactor; Pyrolysis;

DOI:10.1134/S1070363221070097

Reference yield:

decafluorobiphenyl (434-90-2) → 4,4'-dibromo-2,3,5,6,2',3',5',6'-octafluoro-1,1'-biphenyl (10386-84-2) + 4-bromo-2,2',3,3',4',5,5',6,6'-nonafluoro-1,1'-biphenyl (1038-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydrosulfide / ethylene glycol; isopropyl alcohol / 2.5 h / 46 - 60 °C

2: bromine / 24 h / 500 - 505 °C / Flow reactor; Pyrolysis

With potassium hydrosulfide; bromine; In ethylene glycol; isopropyl alcohol;

DOI:10.1134/S1070363221070097

Reference yield:

bromopentafluorobenzene (344-04-7) → 4-bromo-2,2',3,3',4',5,5',6,6'-nonafluoro-1,1'-biphenyl (1038-65-9) + 4-bromo-2,3,5,6,2',3',5',6',2'',3'',4'',5'',6''-tridecafluoro-[1,1';4',1'']terphenyl + perfluoro-4-bromo-p-quaterphenyl (5492-84-2) + 4-bromo-2,3,5,6,2',3',5',6',2'',3'',5'',6'',2''',3''',5''',6''',2'''',3'''',4'''',5'''',6''''-heneicosafluoro-[1,4';1',1'';4'',1''';4''',1'''']quinquephenyl

Guidance literature:

With potassium cyclopentadienyldicarbonyliron⁽⁰⁾; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0022-328X(99)00598-7

upstream raw materials:

bromopentafluorobenzene

decafluorobiphenyl

nonafluoro-1,1′-biphenyl-4-thiol

Downstream raw materials:

perfluoro-4-bromo-p-quaterphenyl

tris(p-nonafluorobiphenyl)boron acetonitrile

1,2,3,4,5,6,7, 8-octafluoro-9-hydroxy-9-nonafluorodiphenylfluorene

tris(p-nonafluorobiphenyl)boron