2,2',4,4',5-Pentabromodiphenyl ether

Base Information

• Chemical Name: 2,2',4,4',5-Pentabromodiphenyl ether
• CAS No.: 60348-60-9
• Molecular Formula: C12H5 Br5 O
• Molecular Weight: 564.691
• Hs Code.: 2909309090
• UNII: D3A2T91I1E
• DSSTox Substance ID: DTXSID9030048
• Nikkaji Number: J767.355H
• Wikidata: Q412017
• Metabolomics Workbench ID: 74810
• ChEMBL ID: CHEMBL374400
• Mol file: 60348-60-9.mol

Synonyms:2,2',3,4,4'-pentabromodiphenyl ether;2,2',4,4',5-pentaBDE;2,2',4,4',5-pentabromodiphenyl ether;2,2',4,4',6-pentabromodiphenyl ether;DE 71;DE-71;PBDE;PBDE 100;PBDE 85;PBDE 99;pentabromodiphenyl ether;pentabromodiphenyl ether (mixed isomers)

Chemical Property of 2,2',4,4',5-Pentabromodiphenyl ether

Chemical Property:

• Melting Point: -7 to -3oC (commercial)
• Boiling Point: Decomposes at 200-300oC (commercial)
• Flash Point: -12oC
• PSA: 9.23000
• Density: 2.344g/cm3 (Cal.) ref.
• LogP: 7.29140
• Storage Temp.: 2-8°C
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 563.62163
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

≥ 99.0% ^*data from raw suppliers

2,2'',4,4'',5-PentabromodiphenylEther(>80%)(Contains~10%2,2'',4,4'',5,5''-HexabromomdiphenylEther) ^*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

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br

Technology Process of 2,2',4,4',5-Pentabromodiphenyl ether

There total 4 articles about 2,2',4,4',5-Pentabromodiphenyl 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: 71.0%

2,4-dibromophenol (615-58-7) + 1,2,4-tribromobenzene (615-54-3) → 2,2',4,4',5-pentrabromodiphenyl ether (60348-60-9)

Guidance literature:

With montmorillonite K₁₀ Clay; for 0.666667h; Microwave irradiation;

Reference yield: 69.0%

2,4,5-tribromophenol (14401-61-7) + 2,2',4,4'-tetrabromodiphenyliodonium chloride → 2,2',4,4',5-pentrabromodiphenyl ether (60348-60-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/es0107475

Reference yield: 54.0%

2,2',4,4'-Tetrabromodiphenyl ether (5436-43-1) → 2,2',3,4,4'-pentabromodiphenyl ether + 2,2',4,4',5-pentrabromodiphenyl ether (60348-60-9)

Guidance literature:

With bromine; iron; In tetrachloromethane; for 2h; Heating;

upstream raw materials:

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

2,4,5-tribromophenol

2,4,5-tribromoaniline

2,4-dibromophenol

Refernces

• 1、 Oern, Ulrika,Eriksson, Lars,Jakobsson, Eva,Bergman, Ake. "Synthesis and Characterization of Polybrominated Diphenyl Ethers - Unlabelled and Radiolabelled Tetra,- Penta- and Hexa-bromodiphenyl Ethers". . p. 802 - 807. Retrieved 2007/10/03.