13311-72-3

Basic information

• Product Name: 4-bromo-2,3,6-trichlorophenol
• Synonyms: 4-bromo-2,3,6-trichlorophenol;2,5,6-Trichloro-4-bromophenol;Einecs 236-340-3
• CAS NO: 13311-72-3
• Molecular Formula: C₆H₂BrCl₃O
• Molecular Weight: 276.34248
• EINECS: 236-340-3
• Mol File: 13311-72-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 281.9°Cat760mmHg
• Flash Point: 124.3°C
• Appearance: /
• Density: 1.975g/cm³
• Vapor Pressure: 0.00203mmHg at 25°C
• Refractive Index: 1.641
• CAS DataBase Reference: 4-bromo-2,3,6-trichlorophenol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-bromo-2,3,6-trichlorophenol(13311-72-3)
• EPA Substance Registry System: 4-bromo-2,3,6-trichlorophenol(13311-72-3)

Safety Data

• Hazardous Substances Data: 13311-72-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H2BrCl3O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H

Upstream product

• 933-75-5 2,3,6-trichlorophenol 
• 64981-10-8 2,3,6-trichloro p-aminophenol 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 

Downstream Products

• 78647-87-7 4-bromo-2,3,6-trichloroanisole 

Relevant articles and documents

Synthesis of hydroxylated PCB metabolites with the Suzuki-coupling

An improved synthesis of hydroxylated polychlorinated biphenyls (PCBs) which are structurally related to the major hydroxy PCB congeners identified in human plasma is described. The coupling of (chlorinated) aryl boronic acids with bromochloro anisoles using the standard conditions of the Suzuki coupling gave the desired hydroxylated PCB metabolites in good to excellent yields. The approach offers the advantage of high selectivity and good yields compared to conventional methods such as the Cadogan reaction and allows the use of less toxic starting materials.