Cas no 68194-08-1 (2,2',3,4',6,6'-hexachlorobiphenyl)

2,2',3,4',6,6'-Hexachlorobiphenyl is a chlorinated biphenyl compound with a defined molecular structure, characterized by six chlorine substituents at the 2, 2', 3, 4', 6, and 6' positions. This configuration imparts high chemical stability and resistance to degradation, making it useful in specialized industrial applications requiring inert materials. Its well-characterized properties, including low volatility and thermal stability, allow for predictable behavior in controlled environments. The compound is primarily utilized in research settings for studying polychlorinated biphenyl (PCB) behavior, environmental persistence, and toxicological effects. Strict handling protocols are advised due to its persistence and potential bioaccumulation risks. Analytical-grade purity ensures reliability for scientific investigations.
2,2',3,4',6,6'-hexachlorobiphenyl structure
68194-08-1 structure
Product Name:2,2',3,4',6,6'-hexachlorobiphenyl
CAS No:68194-08-1
MF:C12H4Cl6
MW:360.878157615662
CID:969472
PubChem ID:63075
Update Time:2025-06-08

2,2',3,4',6,6'-hexachlorobiphenyl Chemical and Physical Properties

Names and Identifiers

    • 2,2',3,4',6,6'-hexachlorobiphenyl
    • 1,2,4-trichloro-3-(2,4,6-trichlorophenyl)benzene
    • 2,2',3,4',6,6'-Hexachloro-1,1'-biphenyl
    • Pcb 150
    • Q27278084
    • 1,1'-Biphenyl, 2,2',3',4,6',6-hexachloro-
    • UNII-FN2B094EU0
    • 1,1'-Biphenyl, 2,2',3',4,6,6'-hexachloro
    • 68194-08-1
    • FN2B094EU0
    • 2,2',3',4,6',6-Hexachlorobiphenyl
    • SCHEMBL4459139
    • FT-0641166
    • DTXSID9074197
    • NAPHTHOLAS-SG
    • DTXCID0045672
    • 1,1'-Biphenyl, 2,2',3,4',6,6'-hexachloro-
    • 1,1'-Biphenyl, 2,2',3,4',6,6'-hexachloro
    • RPPNJBZNXQNKNM-UHFFFAOYSA-N
    • PCB-150
    • Inchi: 1S/C12H4Cl6/c13-5-3-8(16)10(9(17)4-5)11-6(14)1-2-7(15)12(11)18/h1-4H
    • InChI Key: RPPNJBZNXQNKNM-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=C(C=1C1C(=CC=C(C=1Cl)Cl)Cl)Cl)Cl

Computed Properties

  • Exact Mass: 357.84400
  • Monoisotopic Mass: 357.844416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 274
  • 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
  • XLogP3: 6.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.5940 (rough estimate)
  • Melting Point: 115.76°C (estimate)
  • Boiling Point: 446.99°C (rough estimate)
  • Refractive Index: 1.6270 (rough estimate)
  • PSA: 0.00000
  • LogP: 7.27400

2,2',3,4',6,6'-hexachlorobiphenyl Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
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68194-08-1 35 μg/mL()
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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
H68990-1ml
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A2B Chem LLC
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Additional information on 2,2',3,4',6,6'-hexachlorobiphenyl

Hexachlorobiphenyl: A Comprehensive Overview

Hexachlorobiphenyl, also known as 2,2',3,4',6,6'-hexachlorobiphenyl (CAS No. 68194-08-1), is a chlorinated biphenyl compound with a unique structure and diverse applications. This compound belongs to the family of polychlorinated biphenyls (PCBs), which have been extensively studied due to their environmental and biological significance. The molecular formula of hexachlorobiphenyl is C??H?Cl?, and its molecular weight is 370.85 g/mol. The compound is characterized by its high stability and resistance to degradation under normal environmental conditions.

The synthesis of hexachlorobiphenyl involves the chlorination of biphenyl derivatives under controlled conditions. Recent studies have explored novel synthetic pathways that enhance the efficiency and reduce the environmental impact of its production. For instance, researchers have employed catalytic chlorination techniques using transition metal catalysts to achieve higher yields and better control over the substitution patterns of chlorine atoms on the biphenyl ring.

Hexachlorobiphenyl exhibits a range of physical properties that make it suitable for various industrial applications. It is a crystalline solid at room temperature with a melting point of approximately 155°C and a boiling point around 370°C. The compound is sparingly soluble in water but highly soluble in organic solvents such as dichloromethane and carbon tetrachloride. These properties contribute to its stability in different environments and its utility in fields like electronics, flame retardants, and dielectric materials.

In terms of chemical properties, hexachlorobiphenyl is relatively inert under normal conditions but can undergo reactions under specific circumstances. For example, it can participate in nucleophilic aromatic substitution reactions when activated by electron-withdrawing groups or under high-energy conditions. Recent research has focused on understanding the reactivity of hexachlorobiphenyl in the presence of various catalysts and its potential for use in advanced materials synthesis.

The environmental impact of hexachlorobiphenyl has been a subject of extensive research due to its persistence in the environment and potential bioaccumulation in living organisms. Studies have shown that while it is not as toxic as some other PCB congeners, it can still pose risks to aquatic life and human health if not properly managed. Efforts are underway to develop effective remediation strategies for contaminated sites, including bioremediation techniques that utilize microorganisms capable of degrading chlorinated compounds.

In conclusion, hexachlorobiphenyl, or 2,2',3,4',6,6'-hexachlorobiphenyl (CAS No. 68194-08-1), is a versatile compound with significant industrial applications and environmental implications. Its unique chemical properties make it valuable in various sectors, but its persistence in the environment necessitates careful management and innovative solutions to mitigate potential risks.

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