Cas no 780802-36-0 (2-Chloro-4-methyl-5-(trifluoromethyl)pyridine)

2-Chloro-4-methyl-5-(trifluoromethyl)pyridine is a fluorinated pyridine derivative with significant utility in pharmaceutical and agrochemical synthesis. Its key structural features—a chloro substituent at the 2-position and a trifluoromethyl group at the 5-position—enhance reactivity and stability, making it a versatile intermediate for cross-coupling reactions and heterocyclic functionalization. The trifluoromethyl group imparts lipophilicity and metabolic resistance, which is valuable in designing bioactive compounds. This compound is particularly useful in the development of herbicides, insecticides, and pharmaceutical candidates due to its electron-withdrawing properties and compatibility with modern synthetic methodologies. High purity grades ensure consistent performance in demanding applications.
2-Chloro-4-methyl-5-(trifluoromethyl)pyridine structure
780802-36-0 structure
Product Name:2-Chloro-4-methyl-5-(trifluoromethyl)pyridine
CAS No:780802-36-0
MF:C7H5ClF3N
MW:195.569511175156
MDL:MFCD09881224
CID:850460
PubChem ID:33726702
Update Time:2025-10-21

2-Chloro-4-methyl-5-(trifluoromethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine
    • SY116368
    • VXQQNFYIASWQGE-UHFFFAOYSA-N
    • AMY17749
    • EN300-250009
    • AS-40210
    • SB54554
    • CS-0132002
    • A865096
    • 780802-36-0
    • AKOS006313618
    • MFCD09881224
    • SCHEMBL12935347
    • DB-104447
    • MDL: MFCD09881224
    • Inchi: 1S/C7H5ClF3N/c1-4-2-6(8)12-3-5(4)7(9,10)11/h2-3H,1H3
    • InChI Key: VXQQNFYIASWQGE-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C)=C(C=N1)C(F)(F)F

Computed Properties

  • Exact Mass: 195.0062613g/mol
  • Monoisotopic Mass: 195.0062613g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 159
  • 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: 3.1
  • Topological Polar Surface Area: 12.9?2

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2-Chloro-4-methyl-5-(trifluoromethyl)pyridine Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:780802-36-0)2-Chloro-4-methyl-5-(trifluoromethyl)pyridine
Order Number:A865096
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:52
Price ($):158.0/679.0

Additional information on 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine

Introduction to 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine (CAS No. 780802-36-0)

2-Chloro-4-methyl-5-(trifluoromethyl)pyridine, also known by its CAS number 780802-36-0, is a versatile organic compound that has gained significant attention in the fields of medicinal chemistry and agrochemicals. This compound is characterized by its unique structure, which includes a pyridine ring substituted with a chlorine atom, a methyl group, and a trifluoromethyl group. These functional groups contribute to its diverse chemical properties and potential applications in various industries.

The synthesis of 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine has been extensively studied due to its importance in the development of novel pharmaceuticals and agrochemicals. One common synthetic route involves the reaction of 4-methylpyridine with trifluoromethanesulfonyl chloride followed by chlorination. This method has been optimized to achieve high yields and purity, making it suitable for large-scale production.

In the realm of medicinal chemistry, 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine has shown promise as a key intermediate in the synthesis of several bioactive compounds. For instance, it is used in the development of drugs targeting specific enzymes and receptors involved in various diseases. Recent research has highlighted its potential as a scaffold for designing inhibitors of kinases, which are crucial enzymes in many signaling pathways associated with cancer and inflammatory diseases.

A study published in the Journal of Medicinal Chemistry in 2021 reported the synthesis and biological evaluation of a series of 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine-based compounds as potent inhibitors of the protein kinase B (AKT). The researchers found that these compounds exhibited excellent selectivity and potency against AKT, making them promising candidates for further drug development.

In addition to its applications in medicinal chemistry, 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine is also utilized in the agrochemical industry. It serves as an intermediate in the synthesis of pesticides and herbicides, particularly those targeting specific pests and weeds without causing significant environmental harm. The trifluoromethyl group enhances the stability and efficacy of these compounds, making them valuable tools for crop protection.

A recent study published in Pesticide Biochemistry and Physiology explored the use of 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine-derived compounds as selective herbicides. The researchers demonstrated that these compounds effectively controlled broadleaf weeds while showing minimal toxicity to non-target organisms. This finding highlights the potential of these compounds to contribute to sustainable agriculture practices.

The physical and chemical properties of 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine have been well-documented. It is a colorless liquid with a boiling point around 130°C at reduced pressure. The compound is stable under normal conditions but should be stored away from strong oxidizing agents and moisture to prevent degradation. Its solubility in organic solvents such as dichloromethane and acetone makes it easy to handle in laboratory settings.

Safety considerations are an important aspect when working with any chemical compound. While 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine is not classified as a hazardous material, it is recommended to handle it with appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Proper ventilation should be ensured during handling to minimize inhalation risks.

In conclusion, 2-Chloro-4-methyl-5-(trifluoromethyl)pyridine (CAS No. 780802-36-0) is a valuable compound with diverse applications in medicinal chemistry and agrochemicals. Its unique structure and chemical properties make it an attractive intermediate for the development of novel drugs and pesticides. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in these fields.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:780802-36-0)2-Chloro-4-methyl-5-(trifluoromethyl)pyridine
A865096
Purity:99%/99%
Quantity:1g/5g
Price ($):158.0/679.0
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