2,2',4,4'-Tetrabromodiphenyl ether

Base Information

• Chemical Name: 2,2',4,4'-Tetrabromodiphenyl ether
• CAS No.: 5436-43-1
• Molecular Formula: C12H6 Br4 O
• Molecular Weight: 485.795
• Hs Code.: 2903999090
• NSC Number: 21724
• UNII: 0N97R5X10X
• DSSTox Substance ID: DTXSID3030056
• Nikkaji Number: J151.752J
• Wikidata: Q27155474
• Metabolomics Workbench ID: 47817
• ChEMBL ID: CHEMBL229760
• Mol file: 5436-43-1.mol

Synonyms:2,2',4,4'-brominated diphenyl ether;2,2',4,4'-tetrabromobiphenyl ether;2,2',4,4'-tetrabromodiphenyl ether;2,2,4,4-tetrabromodiphenyl ether;BDE-47;PBDE-47;TBDP-ether;tetrabrominated diphenyl ether 47

Chemical Property of 2,2',4,4'-Tetrabromodiphenyl ether

Chemical Property:

• Melting Point: 83-84℃ (ethanol )
• Boiling Point: 395.5°Cat760mmHg
• Flash Point: 162.8°C
• PSA: 9.23000
• Density: 2.161g/cm³
• LogP: 6.52890
• Storage Temp.: 2-8°C
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 485.71112
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

2,4,2'',4''-TetrabromodiphenylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 60-61-62-33-29-16-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br
• Uses: 2,4,2'',4''-Tetrabromodiphenyl Ether, is one of the Polybrominated di-Ph ethers (PBDEs), which are a new class of global, persistent, and toxic contaminants. It is used as Brominated flame retardants (BFRs) in various consumer products. One of the new POPs under the Stockholm Convention

Technology Process of 2,2',4,4'-Tetrabromodiphenyl ether

There total 7 articles about 2,2',4,4'-Tetrabromodiphenyl ether 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: 89.0%

2,4-dibromophenol (615-58-7) → 2,2',4,4'-Tetrabromodiphenyl ether (5436-43-1)

Guidance literature:

for 0.2h; Reagent/catalyst;

Reference yield: 86.0%

2,2'-dibromodiphenyl ether (51452-87-0) → 2,2',4,4'-Tetrabromodiphenyl ether (5436-43-1)

Guidance literature:

With silver tetrafluoroborate; bromine; In tetrachloromethane; nitromethane; at 20 ℃; for 3h;

DOI:10.1007/BF00949002

Reference yield: 85.0%

2,4-dibromophenol (615-58-7) + 1,3-dibromobenzene (108-36-1) → 2,2',4,4'-Tetrabromodiphenyl ether (5436-43-1)

Guidance literature:

With montmorillonite K₁₀ Clay; for 0.333333h; Microwave irradiation;

upstream raw materials:

diphenylether

2,2'-dibromodiphenyl ether

2,4-dibromophenol

bromine

Downstream raw materials:

diphenylether

2,2',4,4',5-pentrabromodiphenyl ether

Refernces

• 1、 -. "Solid-phase synthetic method and application of polybrominated diphenyl ether monomer". Paragraph 0043-0047. . Retrieved 2017/08/31.
• 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.