3,4'-Dichlorodiphenyl ether

Base Information

• Chemical Name: 3,4'-Dichlorodiphenyl ether
• CAS No.: 6842-62-2
• Molecular Formula: C12H8Cl2O
• Molecular Weight: 239.101
• Hs Code.: 2909309090
• European Community (EC) Number: 614-477-3
• UNII: IH41RTF1MQ
• DSSTox Substance ID: DTXSID60871935
• Nikkaji Number: J151.897F
• Wikidata: Q27280723
• Mol file: 6842-62-2.mol

Synonyms:3,4'-Dichlorodiphenyl ether;6842-62-2;1-chloro-3-(4-chlorophenoxy)benzene;3,4'-Dichlorodiphenylether;PCDE 13;Benzene, 1,1'-oxobis(chloro-;Benzene, 1-chloro-3-(4-chlorophenoxy)-;UNII-IH41RTF1MQ;MFCD00043876;IH41RTF1MQ;51289-10-2;1-chloro-3-(4-chlorophenoxy) benzene;EC 614-477-3;1-Chloro-3-(4-chlorophenoxy)-benzene;3,4'-oxybis(chlorobenzene);3,4`-Dichlorodiphenyl ether;3,4\'-Dichlorodiphenyl ether;3,4'-Dichloro Diphenyl Ether;BDE-13;SCHEMBL3716891;DTXSID60871935;AKOS015914747;DS-0788;SY047655;CS-0156878;FT-0614250;Q27280723

Chemical Property of 3,4'-Dichlorodiphenyl ether

Chemical Property:

• Appearance/Colour: Colorless; yellowish
• Melting Point: -10 °C
• Refractive Index: 1.5950
• Boiling Point: 314.9 °C at 760 mmHg
• Flash Point: 109.8 °C
• PSA: 9.23000
• Density: 1.3 g/cm³
• LogP: 4.78570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 237.9952203
• Heavy Atom Count: 15
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-3-(4-chlorophenoxy)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)Cl

Technology Process of 3,4'-Dichlorodiphenyl ether

There total 6 articles about 3,4'-Dichlorodiphenyl 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: 93.0%

4-chloro-phenol (106-48-9,82344-39-6) + 1,3-Dichlorobenzene (541-73-1) → 3,4'-Dichlorobiphenyl ether (6842-62-2)

Guidance literature:

With potassium carbonate; copper(l) chloride; at 60 - 110 ℃; for 2h; Reagent/catalyst; Temperature; Ionic liquid; Microwave irradiation;

Reference yield: 87.0%

3-monochlorophenol (108-43-0) + di-(4-chlorophenyl)iodonium chloride (34220-01-4) → 3,4'-Dichlorobiphenyl ether (6842-62-2)

Guidance literature:

DOI:10.1021/es00056a024

Reference yield: 84.0%

3-monochlorophenol (108-43-0) + 4-Chlorophenylboronic acid (1679-18-1) → 3,4'-Dichlorobiphenyl ether (6842-62-2)

Guidance literature:

With copper diacetate; triethylamine; In dichloromethane; at 0 ℃; for 6h; Molecular sieve;

DOI:10.1016/j.tetlet.2014.06.035

upstream raw materials:

3-monochlorophenol

di-(4-chlorophenyl)iodonium chloride

4-chloro-phenol

4-Chlorophenylboronic acid

Downstream raw materials:

1-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-2-[1,2,4]triazol-1-yl-ethanone

C₁₆H₁₂Cl₂O₄

C₁₄H₁₃Cl₂NO₂

C₂₁H₁₅Cl₂F₂NO₃

Refernces

• 1、 -. "Production device of 3, 4-dichlorodiphenyl ether". Paragraph 0005; 0028; 0036-0038. . Retrieved 2021/07/01.
• 2、 -. "A method for utilizing microwave catalytic synthesis of 3, 4' - two chlorine two ether method". Paragraph 0024-0044. . Retrieved 2017/08/24.