Cas no 514216-44-5 (4,5-Dichloro-2-methylpyridine)

4,5-Dichloro-2-methylpyridine is a halogenated pyridine derivative with significant utility in organic synthesis and pharmaceutical intermediates. Its molecular structure, featuring chlorine substituents at the 4 and 5 positions and a methyl group at the 2 position, enhances reactivity in nucleophilic substitution and cross-coupling reactions. This compound is particularly valued for its role in agrochemical and pharmaceutical applications, where it serves as a key building block for active ingredients. High purity and stability under standard conditions make it a reliable reagent for research and industrial processes. Proper handling is advised due to its potential sensitivity to moisture and light.
4,5-Dichloro-2-methylpyridine structure
4,5-Dichloro-2-methylpyridine structure
Product Name:4,5-Dichloro-2-methylpyridine
CAS No:514216-44-5
MF:C6H5Cl2N
MW:162.016599416733
CID:884350
PubChem ID:33746486
Update Time:2025-05-20

4,5-Dichloro-2-methylpyridine Chemical and Physical Properties

Names and Identifiers

    • 4,5-Dichloro-2-methylpyridine
    • Pyridine, 4,5-dichloro-2-methyl- (9CI)
    • 2-methyl-4,5-dichloropyridine
    • 4,5-bis(chloranyl)-2-methyl-pyridine
    • AG-F-73994
    • AK-35416
    • CTK1G7954
    • KB-35601
    • SureCN3706312
    • 514216-44-5
    • SCHEMBL3706312
    • AKOS006331679
    • DTXSID20652868
    • G11358
    • MFCD09743863
    • Inchi: 1S/C6H5Cl2N/c1-4-2-5(7)6(8)3-9-4/h2-3H,1H3
    • InChI Key: XXUTXRYOVWFEHI-UHFFFAOYSA-N
    • SMILES: ClC1C(=CN=C(C)C=1)Cl

Computed Properties

  • Exact Mass: 160.98000
  • Monoisotopic Mass: 160.98
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 97.1
  • 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
  • Topological Polar Surface Area: 12.9A^2
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.319
  • Boiling Point: 197.1°C at 760 mmHg
  • Flash Point: 91°C
  • Refractive Index: 1.547
  • PSA: 12.89000
  • LogP: 2.69680

4,5-Dichloro-2-methylpyridine Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4,5-Dichloro-2-methylpyridine Pricemore >>

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Additional information on 4,5-Dichloro-2-methylpyridine

4,5-Dichloro-2-methylpyridine: A Comprehensive Overview

4,5-Dichloro-2-methylpyridine (CAS No: 514216-44-5) is a chemical compound that belongs to the class of pyridine derivatives. This compound is characterized by its unique structure, which includes a pyridine ring substituted with two chlorine atoms at the 4 and 5 positions and a methyl group at the 2 position. The combination of these substituents imparts distinct chemical and physical properties to the molecule, making it a subject of interest in various scientific and industrial applications.

The synthesis of 4,5-dichloro-2-methylpyridine has been extensively studied, with researchers exploring various methods to optimize its production. Recent advancements in catalytic processes have enabled more efficient and environmentally friendly syntheses. For instance, the use of transition metal catalysts has been reported to significantly enhance the yield and purity of the compound. These developments are particularly important for industries relying on pyridine derivatives for their products.

One of the most notable applications of 4,5-dichloro-2-methylpyridine is in the field of agrochemicals. This compound serves as an intermediate in the synthesis of pesticides and herbicides, where its ability to interact with biological systems makes it highly effective. Recent studies have highlighted its role in developing next-generation crop protection agents that are both potent and eco-friendly. Researchers have also explored its potential in medicinal chemistry, particularly in the design of drugs targeting specific biological pathways.

The physical properties of 4,5-dichloro-2-methylpyridine are well-documented, including its melting point, boiling point, and solubility characteristics. These properties are critical in determining its suitability for various industrial processes. For example, its high solubility in organic solvents makes it ideal for use in organic synthesis reactions. Additionally, its stability under certain conditions has been a focus of recent investigations, with findings suggesting that it can withstand harsh reaction conditions without degradation.

In terms of environmental impact, 4,5-dichloro-2-methylpyridine has been studied for its biodegradability and toxicity profiles. Research indicates that while it is moderately persistent in certain environments, it can be effectively degraded by microbial activity under controlled conditions. These findings are crucial for industries aiming to minimize their environmental footprint by adopting greener chemical practices.

Recent advancements in computational chemistry have also contributed to a deeper understanding of 4,5-dichloro-2-methylpyridine's molecular behavior. Quantum mechanical studies have provided insights into its electronic structure and reactivity patterns, enabling scientists to predict its behavior in complex chemical systems with greater accuracy. Such studies are instrumental in guiding the design of new compounds with tailored properties.

Moreover, 4,5-dichloro-2-methylpyridine has found applications in materials science, particularly in the development of advanced materials such as polymers and coatings. Its ability to act as a building block for more complex structures has opened up new avenues for innovation in this field.

In conclusion, 4,5-dichloro-2-methylpyridine (CAS No: 514216-44-5) is a versatile compound with a wide range of applications across various industries. Its unique chemical properties and potential for further innovation make it a subject of continued research interest. As scientific advancements continue to unfold, this compound is expected to play an even more significant role in shaping future technologies and products.

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