2,2',4,4',5,6'-Hexabromodiphenyl ether

Base Information

• Chemical Name: 2,2',4,4',5,6'-Hexabromodiphenyl ether
• CAS No.: 207122-15-4
• Molecular Formula: C12H4Br6O
• Molecular Weight: 643.587
• UNII: OGY508QK5U
• DSSTox Substance ID: DTXSID3052692
• Metabolomics Workbench ID: 47806
• Nikkaji Number: J201.391F
• Wikidata: Q27155451
• Mol file: 207122-15-4.mol

Synonyms:2,2',4,4',5,6'-hexabromodiphenyl ether;BDE-175

Chemical Property of 2,2',4,4',5,6'-Hexabromodiphenyl ether

Chemical Property:

• Vapor Pressure: 5.64E-08mmHg at 25°C
• Melting Point: 137.8-138.2 oC**
• Refractive Index: 1.695
• Boiling Point: 453.2oC at 760 mmHg
• Flash Point: -12oC
• PSA: 9.23000
• Density: 2.502g/cm3
• LogP: 8.05390
• Storage Temp.: 2-8°C
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 643.53009
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

98% ^*data from raw suppliers

2,2'',4,4'',5,6''-HexabromodiphenylEther ^*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=C(C=C(C(=C1Br)OC2=CC(=C(C=C2Br)Br)Br)Br)Br

Technology Process of 2,2',4,4',5,6'-Hexabromodiphenyl ether

There total 4 articles about 2,2',4,4',5,6'-Hexabromodiphenyl 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: 74.0%

1,2,4-tribromobenzene (615-54-3) + 2,4,6-tribromophenol (118-79-6) → 2,2',4,4',5,6'-hexabromodiphenyl ether (207122-15-4)

Guidance literature:

With montmorillonite K₁₀ Clay; for 0.75h; Microwave irradiation;

Reference yield: 20.0%

2,3',4,4',6-pentabromodiphenyl ether → 2,2',3,4,4',6'-hexabromodiphenyl ether (243982-83-4) + 2,2',4,4',5,6'-hexabromodiphenyl ether (207122-15-4)

Guidance literature:

With bromine; iron; In dichloromethane; at 80 ℃;

DOI:10.1021/es9902266

Reference yield:

2,4,6-tribromophenol (118-79-6) → 2,2',4,4',5,6'-hexabromodiphenyl ether (207122-15-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 8 percent / NaOH / H₂O

2: 14 percent / Br₂; iron powder / CH₂Cl₂ / 80 °C

With sodium hydroxide; bromine; iron; In dichloromethane; water; 1: Substitution / 2: Bromination;

DOI:10.1021/es9902266

upstream raw materials:

2,4,6-tribromophenol

1,2,4-tribromobenzene

Refernces