3,3',4,4'-Tetrabromodiphenyl ether

Base Information

• Chemical Name: 3,3',4,4'-Tetrabromodiphenyl ether
• CAS No.: 93703-48-1
• Molecular Formula: C12H6 Br4 O
• Molecular Weight: 485.795
• Hs Code.: 2903999090
• European Community (EC) Number: 621-837-3
• UNII: 77SUV8J25T
• DSSTox Substance ID: DTXSID80877030
• Nikkaji Number: J151.755D
• Wikidata: Q27266602
• Mol file: 93703-48-1.mol

Synonyms:3,3',4,4'-Tetrabromodiphenyl ether;93703-48-1;UNII-77SUV8J25T;77SUV8J25T;1,2-dibromo-4-(3,4-dibromophenoxy)benzene;PBDE 77, >90%;Benzene, 1,1'-oxybis[3,4-dibromo-;BENZENE, 1,1'-OXYBIS(3,4-DIBROMO-;PBDE 77;BDE-77;PBDE Congener No. 77;SCHEMBL14938867;DTXSID80877030;4,4'-oxybis(1,2-dibromobenzene);PBDE 77 50 microg/mL in Nonane;NS00074031;Q27266602;1,1'-Oxybis[3,4-dibromobenzene];3,3',4,4'-TetraBDE;BDE 77

Chemical Property of 3,3',4,4'-Tetrabromodiphenyl ether

Chemical Property:

• Melting Point: 96.5-97.5 oC (ethanol )**
• Boiling Point: 434.057oC at 760 mmHg
• Flash Point: -12oC
• PSA: 9.23000
• Density: 2.161g/cm3
• LogP: 6.52890
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 485.71112
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

PBDE77,>90% ^*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=C1OC2=CC(=C(C=C2)Br)Br)Br)Br

Technology Process of 3,3',4,4'-Tetrabromodiphenyl ether

There total 8 articles about 3,3',4,4'-Tetrabromodiphenyl 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: 100.0%

tris(3,4-dibromophenyl)oxonium borofluoride → 3,4-dibromophenol (615-56-5) + 3,3',4,4'-tetrabromodiphenyl ether (93703-48-1)

Guidance literature:

With sodium hydroxide; for 4h; Heating;

DOI:10.1007/BF00949002

Reference yield: 95.0%

3,3',4-tribromodiphenyl ether (147217-80-9) → 3,3',4,4'-tetrabromodiphenyl ether (93703-48-1)

Guidance literature:

With bromine; iron; In dichloromethane; at 50 ℃; for 2h;

DOI:10.1021/es9902266

Reference yield: 82.0%

1-bromo-3-(3-bromophenoxy)benzene (6903-63-5) → 3,3',4,4'-tetrabromodiphenyl ether (93703-48-1)

Guidance literature:

With 1,4-dioxane dibromide; at 100 ℃;

DOI:10.1007/BF00949002

upstream raw materials:

1-bromo-3-(3-bromophenoxy)benzene

3,3',4-tribromodiphenyl ether

3,4-dibromoaniline

3-Bromophenol

Refernces

• 1、 Marsh, Goeran,Hu, Jiwei,Jakobsson, Eva,Rahm, Sara,Bergman, Aeke. "Synthesis and characterization of 32 polybrominated diphenyl ethers". . p. 3033 - 3037. Retrieved 2007/10/03.