104197-13-9

Basic information

• Product Name: 4-BROMO-2,6-DIFLUOROPHENOL
• Synonyms: 4-BROMO-2,6-DIFLUOROPHENOL;2,6-Difluoro-4-Bromophenol 4-Bromo-2,6-Difluoro Phenol;2,6-Difluoro-4-bromophenol;4-Bromo-2,6-difluorophenol 98%;4-Bromo-2,6-difluorophenol98%
• CAS NO: 104197-13-9
• Molecular Formula: C₆H₃BrF₂O
• Molecular Weight: 208.99
• EINECS: 1592732-453-0
• Product Categories: Aromatic Phenols;Phenol&Thiophenol&Mercaptan
• Mol File: 104197-13-9.mol
• Article Data: 18

Chemical Properties

• Melting Point: 50°C
• Boiling Point: 180.2 °C at 760 mmHg
• Flash Point: 62.8 °C
• Appearance: /
• Density: 1.858 g/cm³
• Vapor Pressure: 0.668mmHg at 25°C
• Refractive Index: 1.549
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 6.89±0.23(Predicted)
• BRN: 8543473
• CAS DataBase Reference: 4-BROMO-2,6-DIFLUOROPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-2,6-DIFLUOROPHENOL(104197-13-9)
• EPA Substance Registry System: 4-BROMO-2,6-DIFLUOROPHENOL(104197-13-9)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 104197-13-9(Hazardous Substances Data)

Usage

Chemical Properties

White crystalline

InChI:InChI=1/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Upstream product

• 106-41-2 4-bromo-phenol 
• 28177-48-2 2,6-difluorophenol 
• 461-96-1 3,5-difluorobromobenzene 
• 352535-81-0 2,6-difluoro-4-bromophenylboronic acid 
• 162101-25-9 2,6-difluorophenylboronic acid 
• 372-18-9 1,3-Difluorobenzene 

Relevant articles and documents

Regioselective monobromination of phenols with KBr and ZnAl–BrO3?–layered double hydroxides

The regioselective mono-bromination of phenols has been successfully developed with KBr and ZnAl–BrO3?–layered double hydroxides (abbreviated as ZnAl–BrO3?–LDHs) as brominating reagents. The para site is much favorable and the ortho site takes the priority if para site is occupied. This reaction featured with excellent regioselectivity, cheap brominating reagents, mild reaction condition, high atom economy, broad substrate scope, and provided an efficient method to synthesize bromophenols.

A 2, 6 - difluoro - 4 - bromophenol preparation method (by machine translation)

The invention relates to a 2, 6 - difluoro - 4 - bromophenol preparation method, the preparation method in order to 3, 5 - difluoro bromobenzene as raw materials, after metalation reaction and oxidation reaction, prepare the high purity of the 2, 6 - difluoro - 4 - bromophenol, the preparation of the synthesizing method of the more inexpensive raw materials, low cost, easy operation, and is suitable for large-scale and continuous production, has very high application prospect. (by machine translation)

Structure Property Relationships of Carboxylic Acid Isosteres

The replacement of a carboxylic acid with a surrogate structure, or (bio)-isostere, is a classical strategy in medicinal chemistry. The general underlying principle is that by maintaining the features of the carboxylic acid critical for biological activity, but appropriately modifying the physicochemical properties, improved analogs may result. In this context, a systematic assessment of the physicochemical properties of carboxylic acid isosteres would be desirable to enable more informed decisions of potential replacements to be used for analog design. Herein we report the structure-property relationships (SPR) of 35 phenylpropionic acid derivatives, in which the carboxylic acid moiety is replaced with a series of known isosteres. The data set generated provides an assessment of the relative impact on the physicochemical properties that these replacements may have compared to the carboxylic acid analog. As such, this study presents a framework for how to rationally apply isosteric replacements of the carboxylic acid functional group.