1,2,3,4,5-Pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzene

Base Information

• Chemical Name: 1,2,3,4,5-Pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzene
• CAS No.: 14055-49-3
• Molecular Formula: C13F12 O
• Molecular Weight: 400.123
• NSC Number: 168747
• DSSTox Substance ID: DTXSID80305005
• Wikidata: Q82051400
• Mol file: 14055-49-3.mol

Synonyms:14055-49-3;NSC168747;SCHEMBL6432852;DTXSID80305005;NSC-168747;1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzene

Chemical Property of 1,2,3,4,5-Pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzene

Chemical Property:

• Vapor Pressure: 1.18mmHg at 25°C
• Boiling Point: 181°Cat760mmHg
• Flash Point: 69.6°C
• Density: 1.728g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 2
• Exact Mass: 399.9757526
• Heavy Atom Count: 26
• Complexity: 456

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)OC2=C(C(=C(C(=C2F)F)F)F)F)F)F)C(F)(F)F

Technology Process of 1,2,3,4,5-Pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzene

There total 2 articles about 1,2,3,4,5-Pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]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: 88.0%

2,3,4,5,6-pentafluorophenol (771-61-9) + trimethylpentafluorophenoxysilane (22577-86-2) + perfluorotoluene (434-64-0) + saccharin sodium salt (128-44-9) → 5-Pentafluorophenoxy-3,4,6-trifluoro-2-trifluoromethylphenyl acrylate (217824-96-9) + 4-trifluoromethylnonafluorodiphenyl ether (14055-49-3)

Guidance literature:

With cesium fluoride; 1,1,1,3,3,3-hexamethyl-disilazane; In water; acetonitrile;

Reference yield:

→ 4-trifluoromethylnonafluorodiphenyl ether (14055-49-3)

Guidance literature:

Octafluor-toluen, entspr. Phenolat;

DOI:10.1021/jo01285a051

Reference yield:

4-trifluoromethylnonafluorodiphenyl ether (14055-49-3) → 2-hydroxy-4-pentafluorophenoxyhexafluorotholuene

Guidance literature:

With potassium hydroxide; In tert-butyl alcohol; for 17h; Heating / reflux;

upstream raw materials:

2,3,4,5,6-pentafluorophenol

trimethylpentafluorophenoxysilane

perfluorotoluene

saccharin sodium salt

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