4-Bromo-3,5-difluorophenol

Base Information

• Chemical Name: 4-Bromo-3,5-difluorophenol
• CAS No.: 130191-91-2
• Molecular Formula: C₆H₃BrF₂O
• Molecular Weight: 208.99
• Hs Code.: 2908199090
• European Community (EC) Number: 642-656-6
• DSSTox Substance ID: DTXSID40428269
• Nikkaji Number: J1.905.143I
• Wikidata: Q72454474
• Mol file: 130191-91-2.mol

Synonyms:4-Bromo-3,5-difluorophenol;130191-91-2;Phenol, 4-bromo-3,5-difluoro-;MFCD08062385;2,6-Difluoro-4-hydroxybromobenzene;4-bromo-3,5-difluoro-phenol;3,5-Difluoro-4-bromophenol;SCHEMBL1575301;DTXSID40428269;HHGOLZGZHXELSW-UHFFFAOYSA-N;4-Bromo-3,5-difluorophenol, 98%;BBL103498;STL557308;AKOS005254745;AC-2779;AM61290;CS-W015184;AS-10343;SY002889;FT-0645223;EN300-175257;J-005758;J-514704

Chemical Property of 4-Bromo-3,5-difluorophenol

Chemical Property:

• Appearance/Colour: off-white crystal
• Vapor Pressure: 0.05mmHg at 25°C
• Melting Point: 72-76 °C
• Refractive Index: 1.549
• Boiling Point: 228 °C at 760 mmHg
• PKA: 7.42±0.23(Predicted)
• Flash Point: 91.7 °C
• PSA: 20.23000
• Density: 1.858 g/cm³
• LogP: 2.43290
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: Sparingly Soluble (8.2E-5 g/L) (25°C).
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 207.93353
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

≥99% ^*data from raw suppliers

4-Bromo-3,5-difluorophenol ^*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)Br)F)O
• Uses: 4-Bromo-3,5-difluorophenol is used as intermediates of Liquid Crystals. Reactant in the synthesis of difluoroethyleneoxy group liquid crystal.

Technology Process of 4-Bromo-3,5-difluorophenol

There total 2 articles about 4-Bromo-3,5-difluorophenol 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%

3,5-difluorophenol (2713-34-0) → 4-bromo-3,5-difluoro-phenol (130191-91-2)

Guidance literature:

With acetic acid; potassium bromide; In water; acetic acid; at 35 ℃; regioselective reaction;

DOI:10.3390/molecules25040914

Reference yield:

1-bromo-2,6-difluoro4-methoxybenzene (202865-61-0) → 4-bromo-3,5-difluoro-phenol (130191-91-2)

Guidance literature:

With boron tribromide; In dichloromethane; at 25 ℃; for 12h;

Reference yield:

4-bromo-3,5-difluoro-phenol (130191-91-2) + 2-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-2-ol (1082503-77-2) → 3,5-difluoro-4-[1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl]phenol (1613300-97-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,6-di-tert-butyl-4-methyl-phenol; potassium carbonate; tricyclohexylphosphine; In 1,4-dioxane; at 100 ℃; for 1h; Inert atmosphere;

upstream raw materials:

3,5-difluorophenol

1-bromo-2,6-difluoro4-methoxybenzene

Downstream raw materials:

3,5-difluoro-4-[1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl]phenol