4-Bromo-2,3,5,6-tetrafluorophenol

Base Information

• Chemical Name: 4-Bromo-2,3,5,6-tetrafluorophenol
• CAS No.: 1998-61-4
• Molecular Formula: C6H Br F4 O
• Molecular Weight: 244.971
• Hs Code.: 2908199090
• European Community (EC) Number: 674-536-4
• DSSTox Substance ID: DTXSID10382586
• Wikidata: Q82173945
• Mol file: 1998-61-4.mol

Synonyms:4-bromo-2,3,5,6-tetrafluorophenol;1998-61-4;4-Bromotetrafluorophenol;Phenol, 4-bromo-2,3,5,6-tetrafluoro-;MFCD06246024;C6HBrF4O;AmphicosideII;SCHEMBL14615942;DTXSID10382586;ZBYSEVWUBQSGKC-UHFFFAOYSA-N;4-bromo-2,3,5,6-tetrafluoro-phenol;AKOS007929973;FT-0677367;A814136

Chemical Property of 4-Bromo-2,3,5,6-tetrafluorophenol

Chemical Property:

• Vapor Pressure: 0.508mmHg at 25°C
• Melting Point: 38 °C
• Refractive Index: 1.504
• Boiling Point: 76 °C
• Flash Point: 66°C
• PSA: 20.23000
• Density: 2.026g/cm³
• LogP: 2.71110
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 243.91469
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

98% ^*data from raw suppliers

4-Bromo-2,3,5,6-tetrafluorophenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)O

Technology Process of 4-Bromo-2,3,5,6-tetrafluorophenol

There total 2 articles about 4-Bromo-2,3,5,6-tetrafluorophenol 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:

2,3,5,6-tetraflourophenol (769-39-1,85303-67-9) → 4-bromo-2,3,5,6-tetrafluorophenol (1998-61-4)

Guidance literature:

With 2-iodoxybenzoic acid amide resin; tetraethylammonium bromide; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1055/s-2004-836051

Reference yield:

→ 4-bromo-2,3,5,6-tetrafluorophenol (1998-61-4)

Guidance literature:

K-Salz (K-XIX), Br2 (Methode A);

Reference yield: 80.7%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + 4-bromo-2,3,5,6-tetrafluorophenol (1998-61-4) → 2,4,6-tris(4-bromo-2,3,5,6-tetrafluorophenoxy)-1,3,5-triazine

Guidance literature:

In decane; at 180 ℃; for 13h;

DOI:10.1039/b311028a

upstream raw materials:

2,3,5,6-tetraflourophenol

Downstream raw materials:

4-Bromo-2,3,5,6-tetrafluoro-4-pentachlorophenyloxy-cyclohexa-2,5-dienone

4-(4-Bromo-2,3,5,6-tetrafluoro-phenoxy)-2,4,6-tri-tert-butyl-cyclohexa-2,5-dienone

2,3,5,6-Tetrafluoro-4,4-bis-pentachlorophenyloxy-cyclohexa-2,5-dienone

C₁₅H₁₀F₄O₂

Refernces

• 1、 Kim, Duk-Ki,Chung, Woo-Jae,Lee, Yoon-Sik. "Simple bromination of activated arenes by IBX amide resin and tetraethyl-ammonium bromide". . p. 279 - 282. Retrieved 2007/10/03.