2,2',4,4',5,5'-Hexachlorodiphenyl ether

Base Information

• Chemical Name: 2,2',4,4',5,5'-Hexachlorodiphenyl ether
• CAS No.: 71859-30-8
• Molecular Formula: C12H4 Cl6 O
• Molecular Weight: 376.881
• UNII: PPN138510J
• DSSTox Substance ID: DTXSID80222127
• Nikkaji Number: J772.326A
• Wikidata: Q27286693
• Mol file: 71859-30-8.mol

Synonyms:2,2',4,4',5,5'-hexachlorodiphenyl ether;2,2-HCDE

Chemical Property of 2,2',4,4',5,5'-Hexachlorodiphenyl ether

Chemical Property:

• Boiling Point: 390.5oC at 760 mmHg
• Flash Point: 137.5oC
• PSA: 9.23000
• Density: 1.626g/cm3
• LogP: 7.39930
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 375.836381
• Heavy Atom Count: 19
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

2,2',4,4',5,5'-HEXACHLORODIPHENYL ETHER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A reproductive hazard.
• Hazard Codes: A reproductive hazard.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OC2=CC(=C(C=C2Cl)Cl)Cl

Technology Process of 2,2',4,4',5,5'-Hexachlorodiphenyl ether

There total 2 articles about 2,2',4,4',5,5'-Hexachlorodiphenyl 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: 52.0%

2,4,5-trichlorophenol (95-95-4) + Bis-(2,4,5-trichloro-phenyl)-iodonium; hydrogen sulfate → 2,2',4,4',5,5'-Hexachlorobiphenyl ether (71859-30-8)

Guidance literature:

With sodium hydroxide; In water; for 2h;

Reference yield:

1,2,4,5-tetrachlorobenzene (95-94-3) → 2,2',4,4',5,5'-Hexachlorobiphenyl ether (71859-30-8)

Guidance literature:

Multi-step reaction with 2 steps

1: iodyl sulfate, conc. H₂SO₄, fuming H₂SO₄ (25percent), fuming HNO₃ / 3 h / 50 °C

2: 52 percent / sodium hydroxide / H₂O / 2 h

With sodium hydroxide; iodyl sulfate; sulfuric acid; nitric acid; In water;

upstream raw materials:

2,4,5-trichlorophenol

1,2,4,5-tetrachlorobenzene

Refernces

• 1、 Nevalainen, Tapio,Koistinen, Jaana,Nurmela, Pirjo. "Synthesis, Structure Verification, and Chromatographic Relative Retention Times for Polychlorinated Diphenyl Ethers". . p. 1341 - 1347. Retrieved 2007/10/03.