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

Base Information

• Chemical Name: 2,2',3,4,4',5,6-Heptabromodiphenyl ether
• CAS No.: 189084-67-1
• Molecular Formula: C12H3 Br7 O
• Molecular Weight: 722.483
• UNII: 3D6D6DTP55
• DSSTox Substance ID: DTXSID60583561
• Nikkaji Number: J248.348C
• Wikidata: Q27257062
• Mol file: 189084-67-1.mol

Synonyms:189084-67-1;2,2',3,4,4',5,6-Heptabromodiphenyl ether;PBDE 181;UNII-3D6D6DTP55;3D6D6DTP55;Benzene, 1,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)-;1,2,3,4,5-PENTABROMO-6-(2,4-DIBROMOPHENOXY)BENZENE;DTXSID60583561;GVNRIAPLVGNZPL-UHFFFAOYSA-N;(E)-10-HYDROXY-2-DECENOICACID;NS00077080;J-012195;Q27257062

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

Chemical Property:

• Boiling Point: 489.1oC at 760 mmHg
• Flash Point: -12oC
• PSA: 9.23000
• Density: 2.643g/cm3
• LogP: 8.81640
• Storage Temp.: 2-8°C
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 721.44060
• Heavy Atom Count: 20
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

PBDE181 ^*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

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
• Uses: PBDE 181 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-Heptabromodiphenyl ether

There total 1 articles about 2,2',3,4,4',5,6-Heptabromodiphenyl 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: 11.0%

Pentabromophenol (608-71-9) + 2,2',4,4'-tetrabromodiphenyliodonium chloride → 2,2',3,4,4',5,6-heptabromodiphenylether (189084-67-1)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1021/es9902266

upstream raw materials:

Pentabromophenol

Refernces