Cas no 1804694-29-8 (2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine)

2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine is a fluorinated pyridine derivative characterized by its unique substitution pattern, incorporating both difluoromethyl and trifluoromethyl groups alongside a nitro functionality. This structure imparts distinct electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of multiple fluorine atoms enhances lipophilicity and metabolic stability, which is advantageous in the development of bioactive compounds. Its reactivity, particularly at the nitro and fluorinated positions, allows for further functionalization, enabling diverse applications in heterocyclic chemistry. The compound’s high purity and well-defined structure ensure reproducibility in research and industrial processes.
2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine structure
1804694-29-8 structure
Product Name:2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine
CAS No:1804694-29-8
MF:C7H3F5N2O2
MW:242.102938890457
CID:4848273
Update Time:2025-10-29

2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine
    • Inchi: 1S/C7H3F5N2O2/c8-6(9)4-5(14(15)16)3(1-2-13-4)7(10,11)12/h1-2,6H
    • InChI Key: NBFHXDJMZALMFL-UHFFFAOYSA-N
    • SMILES: FC(C1C=CN=C(C(F)F)C=1[N+](=O)[O-])(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 265
  • XLogP3: 2.2
  • Topological Polar Surface Area: 58.7

2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029075858-250mg
2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine
1804694-29-8 97%
250mg
$484.80 2022-04-01
Alichem
A029075858-500mg
2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine
1804694-29-8 97%
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Alichem
A029075858-1g
2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine
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$1,504.90 2022-04-01

Additional information on 2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine

Comprehensive Overview of 2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine (CAS No. 1804694-29-8)

2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine (CAS No. 1804694-29-8) is a highly specialized fluorinated pyridine derivative that has garnered significant attention in modern pharmaceutical and agrochemical research. This compound, characterized by its unique nitro and trifluoromethyl functional groups, plays a pivotal role in the development of advanced small-molecule inhibitors and crop protection agents. Its molecular structure, featuring both difluoromethyl and trifluoromethyl moieties, contributes to enhanced lipophilicity and bioavailability, making it a valuable building block in drug discovery.

In recent years, the demand for fluorinated compounds like 2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine has surged due to their exceptional metabolic stability and target selectivity. Researchers are particularly interested in its potential applications in kinase inhibition and pesticide formulation, aligning with the growing focus on precision agriculture and personalized medicine. The compound's nitro group further enables versatile chemical transformations, facilitating the synthesis of complex heterocyclic scaffolds.

The synthesis of CAS 1804694-29-8 typically involves multistep organic reactions, including halogenation and nitration of pyridine precursors. Its thermal stability and solubility profile in common organic solvents (e.g., DMSO, acetonitrile) make it suitable for high-throughput screening in drug development pipelines. Notably, its electron-withdrawing properties are exploited to modulate electronic effects in molecular design, a hot topic in computational chemistry circles.

From an industrial perspective, 2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine addresses key challenges in sustainable chemistry. The incorporation of fluorine atoms often reduces environmental persistence compared to traditional chlorinated analogs, resonating with the green chemistry movement. This aligns with frequent search queries like "eco-friendly fluorinated compounds" and "nitropyridine applications 2024," reflecting market trends toward environmentally benign solutions.

Analytical characterization of this compound employs advanced techniques such as HPLC-MS, NMR spectroscopy, and X-ray crystallography. The crystal structure reveals how the steric effects of the trifluoromethyl group influence molecular packing—a subject of numerous structure-activity relationship (SAR) studies. Such data is crucial for optimizing its performance in biocidal formulations or as a pharmacophore in medicinal chemistry projects.

Emerging applications of CAS 1804694-29-8 extend to material science, where its electron-deficient pyridine core serves as a ligand in catalysis or as a component in organic electronic materials. This versatility answers common search inquiries about "multifunctional fluoropyridines" and "nitroheterocycles in materials." Furthermore, its regioselective reactivity makes it a candidate for click chemistry applications, a trending methodology in bioconjugation.

Quality control protocols for this compound emphasize chromatographic purity (>98%) and strict control of process-related impurities, addressing industry concerns about batch-to-batch consistency. These standards meet the rigorous requirements of GMP manufacturing for active pharmaceutical ingredients (APIs) and agrochemical intermediates—topics frequently searched by quality assurance professionals.

In conclusion, 2-(Difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridine represents a convergence of cutting-edge chemistry and applied science. Its dual utility in life sciences and industrial applications positions it as a compound of enduring relevance, particularly as research into fluorine chemistry and nitroaromatics continues to expand. The compound's adaptability to both traditional synthesis and modern catalytic methods ensures its prominence in peer-reviewed literature and patent filings worldwide.

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