1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene

Base Information

• Chemical Name: 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene
• CAS No.: 189084-64-8
• Molecular Formula: C₁₂H₅Br₅O
• Molecular Weight: 564.691
• UNII: YW2W2K0A6U
• DSSTox Substance ID: DTXSID4052689
• Nikkaji Number: J952.365K
• Wikidata: Q27294741
• Metabolomics Workbench ID: 47809
• Mol file: 189084-64-8.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 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene

Chemical Property:

• Melting Point: 97-98 °C(Solv: tetrahydrofuran (109-99-9); acetonitrile (75-05-8))
• Boiling Point: 415.9 °C at 760 mmHg
• Flash Point: 171.9 °C
• PSA: 9.23000
• Density: 2.343 g/cm³
• 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: 265

Purity/Quality:

99% ^*data from raw suppliers

2,2'',4,4'',6-PentabromodiphenylEther ^*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=C2Br)Br)Br

Technology Process of 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene

There total 2 articles about 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene 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: 75.0%

1,3-dibromobenzene (108-36-1) + 2,4,6-tribromophenol (118-79-6) → 2,2',4,4',6-pentabromodiphenyl ether (189084-64-8)

Guidance literature:

With montmorillonite K₁₀ Clay; for 0.416667h; Microwave irradiation;

Reference yield: 51.0%

2,4,6-tribromophenol (118-79-6) + 2,2',4,4'-tetrabromodiphenyliodonium chloride → 2,2',4,4',6-pentabromodiphenyl ether (189084-64-8)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/es0107475

upstream raw materials:

2,4,6-tribromophenol

1,3-dibromobenzene

Refernces

• 1、 Marsh, Goeran,Hu, Jiwei,Jakobsson, Eva,Rahm, Sara,Bergman, Aeke. "Synthesis and characterization of 32 polybrominated diphenyl ethers". . p. 3033 - 3037. Retrieved 2007/10/03.