| Identification | More | [Name]
3,4'-Dichlorodiphenyl ether | [CAS]
6842-62-2 | [Synonyms]
1-chloro-3-(4-chlorophenoxy)-benzene
3,4'-Dichlorodiphenyl ether
3,4-Dichlorphenylether
3,4''-DICHLORODIPHENYL ETHER,99+%
3,4'-Dichlorodiphenyl ether
3-Chlorophenyl 4-chlorophenyl ether
BDE-13 | [Molecular Formula]
C12H8Cl2O | [MDL Number]
MFCD00043876 | [Molecular Weight]
239.1 | [MOL File]
6842-62-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
-10 °C | [Boiling point ]
113°C (0.5 mmHg) | [density ]
1.29 | [refractive index ]
1.5950 | [storage temp. ]
Sealed in dry,Room Temperature | [Henry's Law Constant]
1.3×10-1 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999) | [InChI]
InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H | [InChIKey]
HPRGYUWRGCTBAV-UHFFFAOYSA-N | [SMILES]
C1(Cl)=CC=CC(OC2=CC=C(Cl)C=C2)=C1 | [CAS DataBase Reference]
6842-62-2(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless or light yellow oily liquid | [Uses]
Widely used as a pharmaceutical and pesticide intermediate, 3′,4-dichlorodiphenyl ether is an intermediate for the preparation of the fungicide difenoconazole. | [Synthesis]
The general steps for synthesizing 3,4'-dichlorodiphenyl ether from p-chlorophenol and 1,3-dichlorobenzene are as follows: first, the organic solvent was prepared by mixing ionic liquid with dipropylene glycol methyl ethyl ether in a mass ratio of 1:20. The specific synthesis method is as follows: (1) A copper salt catalyst is added to the reaction system, while 1,3-dichlorobenzene, p-chlorophenol, a base and the organic solvent prepared above are mixed. Among them, the molar ratio of 1,3-dichlorobenzene, p-chlorophenol, potassium carbonate base and cuprous chloride salt was 6:1:1.2:0.01, and the total dosage of organic solvent was 10% of the total amount of the reactants; (2) under microwave-catalyzed conditions, the reaction mixture was stirred for 2 hours at 500 W power, and the temperature of the reaction was controlled at 60~110°C. The reaction temperature was controlled at 60~110°C. The reaction temperature was set to 0.01 °C for 2 hours. After the reaction was completed, the mixture was left to cool, filtered, and the filtrate was distilled under reduced pressure to collect a colorless and transparent liquid product. The conversion of the method was 99% and the yield was 93%. | [References]
[1] Patent: CN105198713, 2017, B. Location in patent: Paragraph 0024-0044 |
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