3,4'-Dibromodiphenyl ether

Base Information

• Chemical Name: 3,4'-Dibromodiphenyl ether
• CAS No.: 83694-71-7
• Molecular Formula: C12H8Br2O
• Molecular Weight: 328.003
• UNII: 3Z13EHB02E
• DSSTox Substance ID: DTXSID90577711
• Nikkaji Number: J151.900J
• Wikidata: Q27258222
• Mol file: 83694-71-7.mol

Synonyms:3,4'-dibromodiphenyl ether;83694-71-7;1-Bromo-3-(4-bromophenoxy)benzene;Benzene, 1-bromo-3-(4-bromophenoxy)-;PBDE 13;UNII-3Z13EHB02E;3Z13EHB02E;SCHEMBL3840708;DTXSID90577711;BGPOVBPKODCMMN-UHFFFAOYSA-N;Q27258222

Chemical Property of 3,4'-Dibromodiphenyl ether

Chemical Property:

• Boiling Point: 346.2±22.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.704±0.06 g/cm3(Predicted)
• LogP: 5.00390
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 327.89214
• Heavy Atom Count: 15
• Complexity: 190

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)OC2=CC=C(C=C2)Br
• Uses: 1-Bromo-3-(4-bromophenoxy)benzene is a brominated flame retardant that contaminants food and diietary products.

Technology Process of 3,4'-Dibromodiphenyl ether

There total 3 articles about 3,4'-Dibromodiphenyl 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: 56.8%

3-bromodiphenyl ether (6876-00-2) → 3,4'-dibromodiphenyl ether (83694-71-7)

Guidance literature:

With copper(II) carbonate; bromine; In acetic acid; at 50 - 60 ℃; for 2h;

DOI:10.1007/BF00808278

Reference yield: 17.0%

3-Bromophenol (591-20-8) + 4,4'-dibromodiphenyliodonium chloride (53601-22-2) → 3,4'-dibromodiphenyl ether (83694-71-7)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1021/es9902266

Reference yield:

bromobenzene (108-86-1,52753-63-6) → 3,4'-dibromodiphenyl ether (83694-71-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 23 percent / iodyl sulfate; H₂SO₄; HNO₃ / 2 h / 45 °C

2: 17 percent / NaOH / H₂O

With sodium hydroxide; iodyl sulfate; sulfuric acid; nitric acid; In water; 1: Addition / 2: Substitution;

DOI:10.1021/es9902266

upstream raw materials:

3-bromodiphenyl ether

3-Bromophenol

4,4'-dibromodiphenyliodonium chloride

bromobenzene

Downstream raw materials:

diphenylether