Octabromodiphenyl ether

Base Information

• Chemical Name: Octabromodiphenyl ether
• CAS No.: 85446-17-9
• Molecular Formula: C₁₂H₂Br₈O
• Molecular Weight: 801.379
• European Community (EC) Number: 251-087-9
• ICSC Number: 1667
• UNII: 67XQ4G0A4Y
• DSSTox Substance ID: DTXSID9047548
• Nikkaji Number: J248.374B
• Wikidata: Q905722
• ChEMBL ID: CHEMBL1528378
• Mol file: 85446-17-9.mol

Synonyms:Octabromodiphenyl ether;85446-17-9;32536-52-0;1,1'-Oxybis(2,3,4,5-tetrabromobenzene);PBDE 194;UNII-67XQ4G0A4Y;67XQ4G0A4Y;2,2',3,3',4,4',5,5'-Octabromodiphenyl ether;BDE 194;1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene;Benzene, 1,1'-oxybis(2,3,4,5-tetrabromo-;2,3,4,5,2',3',4',5'-Octabromodiphenyl ether;DTXSID9047548;Diphenyl ether, octabromo derivative;Benzene, 1,1'-oxybis-, octabromo deriv.;octabromodiphenyloxide;NCGC00090915-01;UNII-QFL9YO91JE;DSSTox_CID_4236;DSSTox_RID_77334;DSSTox_GSID_24236;PBDE No. 194;SCHEMBL943471;DTXCID104236;C12-H2-Br8-O;CHEMBL1528378;BDE-194;Tox21_200312;Tox21_302453;1,1'-Oxybisbenzene octabromo deriv.;NCGC00090915-02;NCGC00090915-03;NCGC00256700-01;NCGC00257866-01;5,5'-oxybis(1,2,3,4-tetrabromobenzene);CAS-32536-52-0;CAS-85446-17-9;FT-0650825;Benzene, 1,1'-oxybis-, octabromo derivative;Q905722

Chemical Property of Octabromodiphenyl ether

Chemical Property:

• PSA: 9.23000
• 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: 326

Purity/Quality:

98%Min ^*data from raw suppliers

PBDE194 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Polyaromatics
• Canonical SMILES: C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=CC(=C(C(=C2Br)Br)Br)Br
• Inhalation Risk: A nuisance-causing concentration of airborne particles can be reached quickly.
• Effects of Long Term Exposure: Animal tests show that this substance possibly causes toxicity to human reproduction or development. The substance may have effects on the liver.
• Uses: PBDE 194 is a persistent organic pollutant. It is also a related compound of PBDE 37 (P215195), a flame retardant found in consumer products.

Technology Process of Octabromodiphenyl ether

There total 5 articles about 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: 80.0%

3,3′,4,4′,5,5′-hexabromodiphenyl ether → 2,2',3,3',4,4',5,5'-octabromodiphenyl ether (85446-17-9)

Guidance literature:

With bromine; iron; In tetrachloromethane; at 70 ℃; for 1.5h;

DOI:10.1021/es071496o

Reference yield: 75.0%

2,3,4,5-tetrabromophenol (4526-58-3) → 2,2',3,3',4,4',5,5'-octabromodiphenyl ether (85446-17-9)

Guidance literature:

for 0.5h;

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

2,3,4,5-tetrabromophenol