6-Bromo-2,4,5-trichlorophenol

Base Information

• Chemical Name: 6-Bromo-2,4,5-trichlorophenol
• CAS No.: 4524-78-1
• Molecular Formula: C6H2BrCl3O
• Molecular Weight: 276.34200
• Hs Code.: 2908199090
• European Community (EC) Number: 621-195-4
• DSSTox Substance ID: DTXSID80377727
• Nikkaji Number: J2.562.103D
• Wikidata: Q82167055
• Mol file: 4524-78-1.mol

Synonyms:6-Bromo-2,4,5-trichlorophenol;70757-44-7;4524-78-1;2-bromo-3,4,6-trichlorophenol;MFCD03093915;DTXSID80377727;GEO-00592;AKOS005259762;GS-0595;6-Bromo-2,4,5-trichlorophenol, 98%;FT-0609786;FT-0609788

Chemical Property of 6-Bromo-2,4,5-trichlorophenol

Chemical Property:

• Melting Point: 84-87oC(lit.)
• PSA: 20.23000
• LogP: 4.11490
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 273.83546
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

98%Min ^*data from raw suppliers

6-Bromo-2,4,5-trichlorophenol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Br)O)Cl

Technology Process of 6-Bromo-2,4,5-trichlorophenol

There total 9 articles about 6-Bromo-2,4,5-trichlorophenol 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:

2,4,5-trichlorophenol (95-95-4) → 2-bromo-3,4,6-trichloro-phenol (4524-78-1)

Guidance literature:

With bromine; acetic acid;

DOI:10.1007/BF01532295

Reference yield:

3,5,6-Trichloro-2-hydroxybenzoic acid (40932-60-3) → 2-bromo-3,4,6-trichloro-phenol (4524-78-1)

Guidance literature:

With bromine; acetic acid; at 60 ℃;

DOI:10.1021/ja01862a072

Reference yield:

3,5-dichlorosalicylic acid (320-72-9) → 2-bromo-3,4,6-trichloro-phenol (4524-78-1)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorine; fuming sulfuric acid

2: aqueous acetic acid; bromine / 60 °C

With sulfuric acid; bromine; chlorine; acetic acid;

DOI:10.1021/ja01862a072

upstream raw materials:

3,5,6-Trichloro-2-hydroxybenzoic acid

2,4,5-trichlorophenol

bromine

acetic acid

Refernces