2,3,4,6-Tetrabromophenol

Base Information

• Chemical Name: 2,3,4,6-Tetrabromophenol
• CAS No.: 14400-94-3
• Molecular Formula: C6H2 Br4 O
• Molecular Weight: 409.697
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID60162597
• Nikkaji Number: J801.788C
• Wikidata: Q83031302
• Mol file: 14400-94-3.mol

Synonyms:2,3,4,6-TETRABROMOPHENOL;14400-94-3;Phenol, 2,3,4,6-tetrabromo-;2,3,4,6-Tetrabrom-phenol;SCHEMBL9472226;HSDB 7654;DTXSID60162597

Chemical Property of 2,3,4,6-Tetrabromophenol

Chemical Property:

• Vapor Pressure: 0.000363mmHg at 25°C
• Melting Point: 113.5°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 308.9°Cat760mmHg
• Flash Point: 140.6°C
• PSA: 20.23000
• Density: 2.684g/cm³
• LogP: 4.44220
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 409.67982
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

2,3,4,6-Tetrabromophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Br)Br)Br)O)Br

Technology Process of 2,3,4,6-Tetrabromophenol

There total 31 articles about 2,3,4,6-Tetrabromophenol 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: 97.0%

3-Bromophenol (591-20-8) → 2,3,4,6-tetrabromophenol (14400-94-3)

Guidance literature:

With benzyltrimethylammonium tribromide; calcium carbonate; In methanol; dichloromethane;

DOI:10.1246/bcsj.62.3373

Reference yield: 70.7%

2,4,5-tribromophenol (14401-61-7) → 2,3,4,6-tetrabromophenol (14400-94-3)

Guidance literature:

With bromine; iron; In dichloromethane; Heating;

DOI:10.1016/j.tet.2006.01.092

Reference yield: 52.0%

(3-bromophenyl)boronic acid (89598-96-9) → 2,3,4,6-tetrabromophenol (14400-94-3)

Guidance literature:

With water; hydrogen bromide; dihydrogen peroxide; In ethanol; at 20 ℃; for 0.0166667h; Green chemistry;

DOI:10.1039/d0ra08580d

upstream raw materials:

3-Bromophenol

2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one

2,4,5-tribromophenol

N-(5-hydroxy-2-nitrophenyl)acetamide

Downstream raw materials:

2,3,4,6-tetrabromophenyl 2,4,5-tribromophenyl ether

(2,3,4,6-tetrabromophenyl)-2,2,3,4,4-pentafluoro-3,4-dibromo-butyrate

3,4,6-tribromo-2-nitro-anisole

3,4,6-tribromo-2-nitro-phenol

Refernces

• 1、 Liu, Huiling,Bernhardsen, Monica,Fiksdahl, Anne. "Polybrominated diphenyl ethers (BDEs); preparation of reference standards and fluorinated internal analytical standards". . p. 3564 - 3572. Retrieved 2007/10/03.
• 2、 Chen,Konstantinov,Chittim,Joyce,Bols,Bunce. "Synthesis of polybrominated diphenyl ethers and their capacity to induce CYP1A by the Ah receptor mediated pathway". . p. 3749 - 3756. Retrieved 2007/10/03.