Cas no 17824-82-7 (2,4,5,6-Tetrachloronicotinonitrile)

2,4,5,6-Tetrachloronicotinonitrile is a chlorinated pyridine derivative with the molecular formula C?HCl?N?. This compound is characterized by its high reactivity due to the presence of multiple chlorine substituents and a nitrile functional group, making it a versatile intermediate in organic synthesis. It is particularly useful in the preparation of agrochemicals and pharmaceuticals, where its structural framework contributes to the development of active ingredients. The tetrachlorinated structure enhances stability and selectivity in reactions, while the nitrile group offers further functionalization potential. Its well-defined chemical properties ensure consistent performance in specialized applications, such as heterocyclic compound synthesis and fine chemical manufacturing.
2,4,5,6-Tetrachloronicotinonitrile structure
17824-82-7 structure
Product Name:2,4,5,6-Tetrachloronicotinonitrile
CAS No:17824-82-7
MF:C6Cl4N2
MW:241.889596939087
CID:228117
PubChem ID:728674
Update Time:2025-06-24

2,4,5,6-Tetrachloronicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,4,5,6-Tetrachloronicotinonitrile
    • 2,4,5,6-TETRACHLORO-NICOTINONITRILE
    • 2,4,5,6-tetrachloropyridine-3-carbonitrile
    • 3-Pyridinecarbonitrile,2,4,5,6-tetrachloro-
    • T6NJ BG CG DG ECN FG
    • tetrachloropyridine-3-carbonitrile
    • F3055-0928
    • MFCD00624086
    • AKOS000116756
    • FT-0709946
    • Z57966034
    • XLORIERFMJHASL-UHFFFAOYSA-N
    • C6Cl4N2
    • SCHEMBL2561930
    • 17824-82-7
    • CS-0169405
    • VS-02594
    • DTXSID30352529
    • HMS1788D01
    • tetrachloro-3-cyanopyridine
    • 2,4,5,6-Tetrachloronicotinonitrile95%
    • BBL010630
    • 3-Pyridinecarbonitrile, 2,4,5,6-tetrachloro-
    • STK723020
    • MDL: T167986
    • Inchi: 1S/C6Cl4N2/c7-3-2(1-11)5(9)12-6(10)4(3)8
    • InChI Key: XLORIERFMJHASL-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(N=C(C=1C#N)Cl)Cl)Cl

Computed Properties

  • Exact Mass: 239.8818
  • Monoisotopic Mass: 239.881559g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 213
  • 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: 3.7
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • PSA: 36.68

2,4,5,6-Tetrachloronicotinonitrile Pricemore >>

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Additional information on 2,4,5,6-Tetrachloronicotinonitrile

Comprehensive Overview of 2,4,5,6-Tetrachloronicotinonitrile (CAS No. 17824-82-7): Properties, Applications, and Industry Insights

2,4,5,6-Tetrachloronicotinonitrile (CAS No. 17824-82-7) is a specialized chemical compound with a unique molecular structure, widely recognized for its role in agrochemical and pharmaceutical research. This chlorinated derivative of nicotinonitrile has garnered significant attention due to its versatile reactivity and potential applications in synthetic chemistry. The compound's tetrachlorinated backbone enhances its stability and selectivity, making it a valuable intermediate in the development of advanced materials and bioactive molecules.

In recent years, the demand for halogenated nitriles like 2,4,5,6-Tetrachloronicotinonitrile has surged, driven by their utility in crop protection formulations and drug discovery. Researchers are particularly interested in its potential to act as a building block for heterocyclic compounds, which are pivotal in designing novel pesticides and pharmaceuticals. The compound's CAS No. 17824-82-7 is frequently searched in scientific databases, reflecting its relevance in modern chemistry.

From an environmental perspective, the synthesis and handling of 2,4,5,6-Tetrachloronicotinonitrile align with growing industry trends toward sustainable chemistry. Innovations in green synthesis methods aim to minimize waste and energy consumption during production. This aligns with global initiatives like the UN Sustainable Development Goals (SDGs), particularly Goal 12 (Responsible Consumption and Production). Companies leveraging this compound are increasingly adopting eco-friendly protocols to meet regulatory standards and consumer expectations.

The compound's physicochemical properties—such as its melting point, solubility, and thermal stability—are critical for formulation scientists. For instance, its low water solubility makes it suitable for controlled-release applications in agriculture, reducing leaching risks. Analytical techniques like HPLC and GC-MS are commonly employed to ensure purity, a topic frequently queried in academic forums and industry publications.

Emerging discussions in digital chemistry platforms highlight the role of 2,4,5,6-Tetrachloronicotinonitrile in AI-driven drug design. Computational models use its structural data to predict interactions with biological targets, accelerating high-throughput screening. This synergy between wet-lab research and in silico tools exemplifies the compound's relevance in the Fourth Industrial Revolution.

In summary, 2,4,5,6-Tetrachloronicotinonitrile (CAS No. 17824-82-7) represents a nexus of innovation across multiple disciplines. Its applications in agrochemicals, pharmaceuticals, and material science underscore its importance in addressing contemporary challenges. As research progresses, this compound is poised to play a pivotal role in advancing sustainable technologies and precision chemistry.

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