59039-21-3

Basic information

• Product Name: 244TRICHLORODIPHENYLETHER
• Synonyms: 244TRICHLORODIPHENYLETHER;2,4-Dichlorophenyl 4-chlorophenyl ether
• CAS NO: 59039-21-3
• Molecular Formula: C₁₂H₇Cl₃O
• Molecular Weight: 273.5424
• Mol File: 59039-21-3.mol
• Article Data: 2

Chemical Properties

• Melting Point: 54-55 °C
• Boiling Point: 326.5°Cat760mmHg
• Flash Point: 120.1°C
• Appearance: /
• Density: 1.396g/cm³
• Vapor Pressure: 0.000409mmHg at 25°C
• Refractive Index: 1.604
• CAS DataBase Reference: 244TRICHLORODIPHENYLETHER(CAS DataBase Reference)
• NIST Chemistry Reference: 244TRICHLORODIPHENYLETHER(59039-21-3)
• EPA Substance Registry System: 244TRICHLORODIPHENYLETHER(59039-21-3)

Safety Data

• Hazardous Substances Data: 59039-21-3(Hazardous Substances Data)

Usage

Description

2,4,4''-Trichlorodiphenyl Ether is a chemical compound that belongs to the class of polychlorinated diphenyl ethers. It is characterized by the presence of three chlorine atoms attached to two phenyl rings, which are connected by an ether linkage. 244TRICHLORODIPHENYLETHER is commonly used as a standard for environmental testing and research, as well as for the development of quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) models.

Uses

Used in Environmental Testing and Research:
2,4,4''-Trichlorodiphenyl Ether is used as a standard in environmental testing and research to evaluate the presence and impact of polychlorinated diphenyl ethers in various environmental samples. This helps in understanding the distribution, persistence, and potential risks associated with these compounds in the environment.
Used in QSPR/QSAR Models:
2,4,4''-Trichlorodiphenyl Ether is also utilized as a substance for the development of QSPR and QSAR models. These models are designed to predict the physico-chemical properties and biological activity of polychlorinated diphenyl ethers, which can aid in the assessment of their potential hazards and risks to human health and the environment. By using 2,4,4''-Trichlorodiphenyl Ether as a reference, researchers can improve the accuracy and reliability of these predictive models, ultimately contributing to a better understanding of the behavior and effects of similar compounds.

InChI:InChI=1/C12H7Cl3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H

Upstream product

• 14861-17-7 2,4-dichloro-4'-aminodiphenyl ether 
• 34220-01-4 di-(4-chlorophenyl)iodonium chloride 
• 120-83-2 2,4-dichlorophenol 
• 1836-75-5 nitrofen 
• 100-00-5 4-chlorobenzonitrile 
• 106-46-7 para-dichlorobenzene 
• 89-61-2 2,5-dichloronitrobenzene 
• 135-12-6 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene 
• 121-27-7 2-(4'-chlorophenoxy)-5-chloro-aniline 

Downstream Products

• 2392-48-5 2,4,4'-trichloro-2'-nitrodiphenyl ether 
• 859776-16-2 (4-chloro-2-nitro-phenyl)-(2,4-dichloro-5-nitro-phenyl)-ether 
• 39489-77-5 2,4-dichloro-5-nitrophenol? 
• 3380-34-5 triclosan 

Relevant articles and documents

Synthesis, Structure Verification, and Chromatographic Relative Retention Times for Polychlorinated Diphenyl Ethers

Fifty-four polychlorinated diphenyl ether (PCDEs) congeners were synthesized, and their structures were confirmed by mass spectrometry and proton magnetic resonance spectroscopy. The gas chromatographic relative retention times (RRT) for the PCDEs were determined relative to a reference standard, -tetrachlorobiphenyl (PCB 77) on the fused silica capillary columns of SE-54 and OV-1701. The retention times for PCDEs increased with the increasing number of vicinal chlorines within a series of isomers. The chlorine substitution patterns of PCDEs were used to develop a method for predicting RRTs for congeners that were not synthesized.