1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene

Base Information

• Chemical Name: 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene
• CAS No.: 14055-44-8
• Molecular Formula: C12BrF9O
• Molecular Weight: 411.02
• Hs Code.: 2909309090
• NSC Number: 168741
• DSSTox Substance ID: DTXSID80305000
• Wikidata: Q82051392
• Mol file: 14055-44-8.mol

Synonyms:14055-44-8;4-Bromoperfluorodiphenyl ether;4-Bromononafluorodiphenyl ether;1-(4-BROMO-2,3,5,6-TETRAFLUOROPHENOXY)-2,3,4,5,6-PENTAFLUOROBENZENE;1-bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzene;NSC168741;SCHEMBL1994971;DTXSID80305000;AKOS025310250;NSC-168741;Benzene,1-bromo-2,3,5,6-tetrafluoro-4-(pentafluorophenoxy)-(9ci);BENZENE,1-BROMO-2,3,5,6-TETRAFLUORO-4-(PENTAFLUOROPHENOXY)- (9CI)

Chemical Property of 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene

Chemical Property:

• Vapor Pressure: 0.506mmHg at 25°C
• Refractive Index: 1.475
• Boiling Point: 198.5 °C at 760 mmHg
• Flash Point: 100.4 °C
• PSA: 9.23000
• Density: 1.919 g/cm³
• LogP: 5.49330
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 409.89888
• Heavy Atom Count: 23
• Complexity: 386

Purity/Quality:

99% ^*data from raw suppliers

4-Bromononafluorodiphenyl ether ^*data from reagent 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)OC2=C(C(=C(C(=C2F)F)Br)F)F

Technology Process of 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene

There total 3 articles about 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene 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: 83.0%

4-aminononafluorodiphenylether (19736-64-2) + copper(I) bromide (7787-70-4) → 4-bromo-perfluorodiphenylether (14055-44-8)

Guidance literature:

With sodium nitrite; In hydrogen bromide; Diazotation at -20°C for 6 h then at 70°C;

Reference yield:

4-aminononafluorodiphenylether (19736-64-2) → 4-bromo-perfluorodiphenylether (14055-44-8)

Guidance literature:

Multistep reaction; (i) HF, NaNO₂, (ii) CuBr, aq. HBr;

Reference yield:

→ 4-bromo-perfluorodiphenylether (14055-44-8)

Guidance literature:

Brompentafluorbenzol, entspr. Phenolat;

DOI:10.1021/jo01285a051

upstream raw materials:

4-aminononafluorodiphenylether

copper(I) bromide

Downstream raw materials:

4-Methyl-nonafluordiphenylether

2,2',3,3',4',5,5',6,6'-nonafluorodiphenyl ether

(p-C₆F₅OC₆F₄)2

Tris-(p-pentafluorphenoxy-tetrafluorphenyl)-phosphin