2,6-Dibromodiphenyl ether

Base Information

• Chemical Name: 2,6-Dibromodiphenyl ether
• CAS No.: 51930-04-2
• Molecular Formula: C12H8Br2O
• Molecular Weight: 327.99900
• UNII: 40RW2WP16L
• DSSTox Substance ID: DTXSID00477016
• Nikkaji Number: J151.863A
• Wikidata: Q27258355
• Mol file: 51930-04-2.mol

Synonyms:2,6-Dibromodiphenyl ether;51930-04-2;1,3-dibromo-2-phenoxybenzene;PBDE 10;Benzene, 1,3-dibromo-2-phenoxy-;UNII-40RW2WP16L;40RW2WP16L;MUVDKHMQIZJFTC-UHFFFAOYSA-;DTXSID00477016;Q27258355;InChI=1/C12H8Br2O/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8H

Chemical Property of 2,6-Dibromodiphenyl ether

Chemical Property:

• Boiling Point: 315.2±32.0 °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: 182

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C=CC=C2Br)Br
• Uses: PBDE 10 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 2,6-Dibromodiphenyl ether

There total 2 articles about 2,6-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: 37.0%

2,6-dibromophenol (608-33-3) + diphenyliodonium bromide (1483-73-4) → 2,6-dibromodiphenyl ether (51930-04-2)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1021/es9902266

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,6-dibromodiphenyl ether (51930-04-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / iodyl sulfate; H₂SO₄ / acetic anhydride / 2 h / 20 °C

2: 37 percent / NaOH / H₂O

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

DOI:10.1021/es9902266

upstream raw materials:

2,6-dibromophenol

diphenyliodonium bromide

benzene

Refernces