2,3,3',4,4',5,5',6-Octabromodiphenyl ether

Base Information

• Chemical Name: 2,3,3',4,4',5,5',6-Octabromodiphenyl ether
• CAS No.: 446255-56-7
• Molecular Formula: C₁₂H₂Br₈O
• Molecular Weight: 801.379
• UNII: IC12H1GS4R
• DSSTox Substance ID: DTXSID4074776
• Nikkaji Number: J248.382C
• Wikidata: Q27280655
• Mol file: 446255-56-7.mol

Synonyms:446255-56-7;2,3,3',4,4',5,5',6-Octabromodiphenyl ether;Benzene, pentabromo(3,4,5-tribromophenoxy)-;UNII-IC12H1GS4R;IC12H1GS4R;PBDE 205;Pentabromo(3,4,5-tribromophenoxy)-benzene;BDE 205;1,2,3,4,5-Pentabromo-6-(3,4,5-tribromophenoxy)benzene;Benzene, 1,2,3,4,5-pentabromo-6-(3,4,5-tribromophenoxy)-;DTXSID4074776;CVMKCYDBEYHNBM-UHFFFAOYSA-N;WSA25556;AKOS028109882;NS00073875;Q27280655

Chemical Property of 2,3,3',4,4',5,5',6-Octabromodiphenyl ether

Chemical Property:

• Vapor Pressure: 3.45E-11mmHg at 25°C
• Refractive Index: 1.718
• Boiling Point: 540.2°C at 760 mmHg
• Flash Point: -12 °C
• PSA: 9.23000
• Density: 2.768g/cm³
• LogP: 9.57890
• Storage Temp.: 2-8°C
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 801.34907
• Heavy Atom Count: 21
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4,5-Pentabromo-6-(3,4,5-tribromophenoxy)benzene ^*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:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
• Uses: 1,2,3,4,5-Pentabromo-6-(3,4,5-tribromophenoxy)benzene is a polybrominated diphenyl ethers (PBDEs) found as a contaminant in soil.

Technology Process of 2,3,3',4,4',5,5',6-Octabromodiphenyl ether

There total 1 articles about 2,3,3',4,4',5,5',6-Octabromodiphenyl 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:

2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether (1163-19-5) → 2,2′,3,4,4′,5,6,6′-octabromodiphenylether (446255-54-5) + 2,3,3',4,4',5,5',6-octabromodiphenyl ether (446255-56-7) + 2,2',3,3',4,4',6,6'-octabromodiphenyl ether + 2,2',3,3',4,4',5,6'-octabromodiphenyl ether + 2,2',3,3',4,4',5,5'-octabromodiphenyl ether (85446-17-9) + 2,2',3,3',4,4',5,6-octabromodiphenyl ether (446255-38-5) + 2,2',3,3',4,5,5',6'-octabromodiphenyl ether + 2,2',3,3',5,5',6,6'-octabromodiphenyl ether (67797-09-5) + 2,2',3,3',4,5,5',6-octabromodiphenyl ether + 2,2′,3,3′,4,5′,6,6′-octabromodiphenyl ether + 2,2',3,4,4',5,5',6-octabromodiphenyl ether (337513-72-1)

Guidance literature:

With 2 wt.% Pd/TiO2; In tetrahydrofuran; methanol; for 0.0333333h; UV-irradiation; Inert atmosphere; Darkness;

DOI:10.1002/chem.201402477

upstream raw materials:

2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether

Refernces