Cas no 37680-66-3 (2,2',4-Trichlorobiphenyl)

2,2',4-Trichlorobiphenyl is a chlorinated biphenyl compound primarily used in research and industrial applications due to its stability and chemical properties. As a member of the polychlorinated biphenyl (PCB) family, it serves as a reference standard in environmental and toxicological studies, aiding in the analysis of PCB contamination and degradation pathways. Its well-defined structure and purity make it valuable for analytical calibration and method development. The compound’s persistence in the environment also allows for studies on long-term ecological impacts and bioremediation techniques. Proper handling is essential due to its potential toxicity and regulatory restrictions under international PCB guidelines.
2,2',4-Trichlorobiphenyl structure
2,2',4-Trichlorobiphenyl structure
Product Name:2,2',4-Trichlorobiphenyl
CAS No:37680-66-3
MF:C12H7Cl3
MW:257.54298043251
CID:321593
PubChem ID:37804
Update Time:2025-05-23

2,2',4-Trichlorobiphenyl Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl,2,2',4-trichloro-
    • 2,2',4,5,5'-PENTACHLOROBIPHENYL
    • 2,4-dichloro-1-(2-chlorophenyl)benzene
    • Quebec Ministry of Environment Congener Mix
    • 2,2',4-Trichlorobiphenyl
    • PCB No 15
    • PCB15 in Octane
    • 2,4,2'-Trichlorobiphenyl
    • PCB 17
    • CHEMBL1797260
    • 37680-66-3
    • UNII-YA6CZ8O8B4
    • DTXSID1073492
    • DTXCID2039384
    • 2,2,4-TRICHLOROBIPHENYL
    • Q27294424
    • YKKYCYQDUUXNLN-UHFFFAOYSA-N
    • YA6CZ8O8B4
    • SCHEMBL2934558
    • PCB No 17
    • NS00076987
    • 1,1'-Biphenyl, 2,2',4-trichloro-
    • 2,2',4-Trichloro-1,1'-biphenyl
    • MDL: MFCD00013641
    • Inchi: 1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H
    • InChI Key: YKKYCYQDUUXNLN-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C1C=CC=CC=1Cl)Cl

Computed Properties

  • Exact Mass: 255.96100
  • Monoisotopic Mass: 255.961333
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0

Experimental Properties

  • Density: 1.351±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 63.91°C (estimate)
  • Boiling Point: 334.36°C (rough estimate)
  • Flash Point: 215.2 °C
  • Refractive Index: 1.6040 (rough estimate)
  • Solubility: Insuluble (1.7E-4 g/L) (25 oC),
  • PSA: 0.00000
  • LogP: 5.31380

2,2',4-Trichlorobiphenyl Security Information

  • Hazardous Material transportation number:UN 2315 9/PG 2
  • Hazard Category Code: 33-50/53
  • Safety Instruction: 35-60-61
  • Hazardous Material Identification: N

2,2',4-Trichlorobiphenyl Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2,2',4-Trichlorobiphenyl Pricemore >>

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2,2',4-Trichlorobiphenyl Related Literature

Additional information on 2,2',4-Trichlorobiphenyl

2,2',4-Trichlorobiphenyl (CAS No. 37680-66-3)

2,2',4-Trichlorobiphenyl is a polychlorinated biphenyl (PCB) compound with the CAS registry number 37680-66-3. This compound belongs to a class of synthetic organic chemicals that have been widely studied due to their environmental persistence and potential health risks. The structure of 2,2',4-Trichlorobiphenyl consists of two benzene rings connected by a single bond, with chlorine atoms substituted at the 2, 2', and 4 positions. This specific substitution pattern gives the compound its unique chemical properties and biological activity.

Historically, PCBs like 2,2',4-Trichlorobiphenyl were used in various industrial applications, including as dielectric fluids in capacitors and transformers due to their high thermal stability and insulating properties. However, their production and use have been restricted or banned in many countries following the discovery of their persistence in the environment and potential toxicity. Despite these restrictions, 2,2',4-Trichlorobiphenyl and other PCBs continue to be detected in environmental samples, highlighting the need for ongoing research into their fate, transport, and effects on ecosystems and human health.

Recent studies have focused on understanding the environmental behavior of 2,2',4-Trichlorobiphenyl, particularly its degradation pathways and bioaccumulation potential. Research has shown that PCBs can undergo various transformation processes in the environment, including photochemical degradation under sunlight exposure or microbial degradation in soil and sediment. However, 2,2',4-Trichlorobiphenyl remains relatively stable under most natural conditions, contributing to its long-term presence in contaminated sites.

The toxicological profile of 2,2',4-Trichlorobiphenyl has also been a subject of extensive research. Studies indicate that PCBs can act as endocrine disruptors, interfering with hormone systems and potentially leading to adverse reproductive and developmental effects in both wildlife and humans. Additionally, some PCB congeners, including 2,2',4-Trichlorobiphenyl, have been classified as possible human carcinogens based on experimental animal studies.

Advancements in analytical techniques have improved the detection limits for PCBs like 2,2',4-Trichlorobiphenyl, enabling more precise monitoring of contamination levels in environmental matrices such as water, soil, and biota. High-resolution gas chromatography-mass spectrometry (HRGC/HRMS) and liquid chromatography-tandem mass spectrometry (LC-MS/MS) are among the most commonly used methods for identifying and quantifying these compounds at trace levels.

Efforts to remediate sites contaminated with 2,2',4-Trichlorobiphenyl and other PCBs have led to the development of innovative technologies such as thermal desorption systems and bioremediation strategies. These approaches aim to reduce the concentration of PCBs in contaminated environments while minimizing risks to human health and ecological systems.

In conclusion, 2,2',4-Trichlorobiphenyl (CAS No. 37680-66-3) remains a significant focus of scientific research due to its persistence in the environment and potential health risks. Ongoing studies are essential for understanding its behavior under varying environmental conditions and developing effective strategies for mitigation and remediation.

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