4-Chlorodiphenyl ether

Base Information

• Chemical Name: 4-Chlorodiphenyl ether
• CAS No.: 7005-72-3
• Molecular Formula: C12H9 Cl O
• Molecular Weight: 204.656
• Hs Code.: 2909309090
• European Community (EC) Number: 230-281-7
• NSC Number: 61839
• UN Number: 3271
• UNII: 5AY689Y3GH
• DSSTox Substance ID: DTXSID2052447
• Nikkaji Number: J45.879A
• Wikidata: Q27261762
• Mol file: 7005-72-3.mol

Synonyms:4-CDE;4-chlorodiphenyl ether

Chemical Property of 4-Chlorodiphenyl ether

Chemical Property:

• Appearance/Colour: Pale yellow liquid. Ethereal odor.
• Vapor Pressure: 2.7 x 10-3 mmHg at 25 °C (calculated, Branson, 1977)
• Melting Point: -8 ºC
• Refractive Index: n20/D 1.587(lit.)
• Boiling Point: 284 ºC
• Flash Point: 113 ºC
• PSA: 9.23000
• Density: 1.193
• LogP: 4.13230
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: 3.3 mg/L at 25 °C (Branson, 1977)
• Water Solubility.: 3.3 mg/L (25 ºC)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 204.0341926
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

4-Chlorodiphenyl ether ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N-Xi,F,N,Xi,Xn
• Statements: 50/53-36/37/38-41-22-43
• Safety Statements: 61-37/39-29-26-60-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Polyaromatics
• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
• Uses: 4-Chlorodiphenyl Ether is a standard for environmental testing and research. Biodegradability studies with organic priority pollutant compounds. 4-Chlorodiphenyl ether can be used in the preparation of 4′-chloro-2,2′,3,3′,4,5,5′,6,6′-nonabromodiphenyl ether (Cl-BDE-208), an internal standard used in the analysis of highly brominated diphenyl ethers.

Technology Process of 4-Chlorodiphenyl ether

There total 54 articles about 4-Chlorodiphenyl 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: 99.0%

bromochlorobenzene (106-39-8) + phenol (108-95-2,27073-41-2) → 4-chlorodiphenyl ether (7005-72-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 12h;

DOI:10.1002/adsc.201000977

Reference yield: 98.0%

para-dichlorobenzene (106-46-7,84348-21-0) + phenol (108-95-2,27073-41-2) → 4-chlorodiphenyl ether (7005-72-3)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 20 - 110 ℃;

DOI:10.1021/jo901462g

Reference yield: 97.0%

bromobenzene (108-86-1,52753-63-6) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-chlorodiphenyl ether (7005-72-3)

Guidance literature:

With copper; potassium hydroxide; In water; at 120 - 200 ℃; for 1h; Reagent/catalyst;

upstream raw materials:

bromochlorobenzene

potassium phenolate

diphenylether

potassium 4-chlorophenoxide

Downstream raw materials:

5-chloro-2-phenoxy-benzoic acid

RB₂₀₂

2-Chlor-phenoxathiin

4,4'-dichlorodiphenyl ether