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

Base Information

• Chemical Name: 2,2',3,4,4',5,6,6'-Octabromodiphenyl ether
• CAS No.: 446255-54-5
• Molecular Formula: C12H2Br8O
• Molecular Weight: 801.37600
• UNII: 904HBL1573
• DSSTox Substance ID: DTXSID00196255
• Nikkaji Number: J248.381E
• Wikidata: Q27271281
• Mol file: 446255-54-5.mol

Synonyms:2,2',3,4,4',5,6,6'-Octabromodiphenyl ether;446255-54-5;UNII-904HBL1573;BDE 204;Benzene, pentabromo(2,4,6-tribromophenoxy)-;904HBL1573;Benzene, 1,2,3,4,5-pentabromo-6-(2,4,6-tribromophenoxy)-;1,2,3,4,5-Pentabromo-6-(2,4,6-tribromophenoxy)benzene;PBDE No. 204;PBDE 204;BDE-204;DTXSID00196255;FT-0756531;Q27271281;Benzene, pentabromo(2,4,6-tribromophenoxy)- (9CI)

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

Chemical Property:

• Melting Point: 197.5-198.5 °C
• Boiling Point: 506.7±50.0 °C(Predicted)
• PSA: 9.23000
• Density: 2.768±0.06 g/cm3(Predicted)
• LogP: 9.57890
• 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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br
• Uses: PBDE 204 is a related compound of PBDE 37 (P215200). PBDE 37 is a polybrominated diphenyl ether, an organobromine compound, used as a flame retardant in consumer products. PBDE 37 is also an environment pollutant that may lead to pregnancy failure.

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

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

C12H4Br8N2O → 2,2′,3,4,4′,5,6,6′-octabromodiphenylether (446255-54-5)

Guidance literature:

C₁₂H₄Br₈N₂O; With boron trifluoride diethyl etherate; isopentyl nitrite; In tetrahydrofuran; at -15 - 20 ℃;

With iron(II) sulfate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Further stages.;

DOI:10.1021/es071496o

Reference yield:

C12H3Br8NO → 2,2′,3,4,4′,5,6,6′-octabromodiphenylether (446255-54-5)

Guidance literature:

C₁₂H₃Br₈NO; With boron trifluoride diethyl etherate; isopentyl nitrite; In tetrahydrofuran; at -15 - 20 ℃;

With iron(II) sulfate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Further stages.;

DOI:10.1021/es071496o

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) + 2,2',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′,4,5′,6,6′-octabromodiphenyl ether

Guidance literature:

With titanium(IV) oxide; In tetrahydrofuran; methanol; for 1h; 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

• 1、 Teclechiel, Daniel,Christiansson, Anna,Bergman, Ake,Marsh, Goeran. "Synthesis of octabrominated diphenyl ethers from aminodiphenyl ethers". . p. 7459 - 7463. Retrieved 2008/03/27.