Cas no 1196157-25-1 (4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine)

4-Chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine is a halogenated pyridine derivative with significant utility in organic synthesis and agrochemical applications. Its key structural features—a chloro substituent at the 4-position, a reactive chloromethyl group at the 2-position, and a trifluoromethyl group at the 6-position—make it a versatile intermediate for constructing complex molecules. The presence of multiple electrophilic sites enables selective functionalization, facilitating the synthesis of heterocyclic compounds, pharmaceuticals, and crop protection agents. The trifluoromethyl group enhances lipophilicity and metabolic stability, contributing to its relevance in bioactive molecule design. This compound is typically handled under controlled conditions due to its reactivity, ensuring optimal performance in synthetic workflows.
4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine structure
1196157-25-1 structure
Product Name:4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine
CAS No:1196157-25-1
MF:C7H4Cl2F3N
MW:230.014570236206
CID:2616794
PubChem ID:72212525
Update Time:2025-05-23

4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine
    • DTXSID401212135
    • 4-Chloro-2-chloromethyl-6-(trifluoromethyl)pyridine
    • 1196157-25-1
    • AB69384
    • Inchi: 1S/C7H4Cl2F3N/c8-3-5-1-4(9)2-6(13-5)7(10,11)12/h1-2H,3H2
    • InChI Key: PGAMXRYSSQPTMZ-UHFFFAOYSA-N
    • SMILES: ClC1C=C(CCl)N=C(C(F)(F)F)C=1

Computed Properties

  • Exact Mass: 228.9672890Da
  • Monoisotopic Mass: 228.9672890Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 2.8
  • Topological Polar Surface Area: 12.9?2

4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029010852-250mg
4-Chloro-2-chloromethyl-6-(trifluoromethyl)pyridine
1196157-25-1 95%
250mg
$970.20 2023-09-04
Alichem
A029010852-1g
4-Chloro-2-chloromethyl-6-(trifluoromethyl)pyridine
1196157-25-1 95%
1g
$2923.95 2023-09-04

Additional information on 4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine

4-Chloro-2-(Chloromethyl)-6-(Trifluoromethyl)Pyridine: A Comprehensive Overview

The compound 4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine, with the CAS number 1196157-25-1, is a highly specialized organic molecule that has garnered significant attention in the fields of chemistry and materials science. This pyridine derivative is characterized by its unique substitution pattern, featuring a chlorine atom at the 4-position, a chloromethyl group at the 2-position, and a trifluoromethyl group at the 6-position. These substituents confer distinctive electronic and steric properties to the molecule, making it a valuable compound for various applications.

4-Chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine has been extensively studied for its potential in pharmaceuticals, agrochemicals, and advanced materials. Recent research has highlighted its role as a precursor in the synthesis of bioactive compounds, particularly in the development of novel insecticides and herbicides. The trifluoromethyl group, known for its electron-withdrawing properties, enhances the stability and bioavailability of the molecule, making it an attractive candidate for agricultural applications.

One of the most intriguing aspects of 4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine is its ability to participate in various chemical reactions. For instance, the chloromethyl group at the 2-position can act as a leaving group in nucleophilic substitution reactions, enabling the formation of diverse derivatives. This versatility has led to its use in the synthesis of heterocyclic compounds, which are crucial in drug discovery and material science.

Recent studies have also explored the environmental impact of 4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine. Researchers have investigated its biodegradation pathways and toxicity profiles to ensure its safe use in industrial and agricultural settings. These findings have underscored the importance of sustainable practices in handling such compounds to minimize their ecological footprint.

In terms of synthesis, 4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine can be prepared through a variety of methods, including Friedel-Crafts alkylation and nucleophilic aromatic substitution. The choice of synthetic route depends on factors such as reaction conditions, catalysts, and starting materials. Recent advancements in catalytic systems have improved the efficiency and selectivity of these reactions, making large-scale production more feasible.

The structural integrity of 4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine is further enhanced by its rigid aromatic ring system. This rigidity contributes to its stability under various chemical conditions and makes it suitable for applications requiring robust molecular frameworks. For example, it has been employed as a building block in supramolecular chemistry, where its ability to form hydrogen bonds and π-π interactions is exploited to construct complex molecular architectures.

Moreover, 4-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine has shown promise in electronic materials science. Its electron-deficient nature makes it an ideal candidate for use in organic semiconductors and optoelectronic devices. Researchers have demonstrated that incorporating this compound into polymer blends can significantly enhance their charge transport properties, paving the way for next-generation electronic devices.

In conclusion, 4-chloro-2-(chlorom methyl)-6-(trifluoromet hyl)pyridine (CAS No: 1196157-25-1) is a multifaceted compound with a wide range of applications across various scientific disciplines. Its unique chemical structure and reactivity make it an invaluable tool for researchers and industry professionals alike. As ongoing studies continue to uncover new insights into its properties and potential uses, this compound is poised to play an even greater role in shaping future innovations.

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