Cas no 220000-88-4 (4-(4-(Trifluoromethyl)phenyl)pyridine)

4-(4-(Trifluoromethyl)phenyl)pyridine is a fluorinated aromatic compound featuring a pyridine core linked to a trifluoromethyl-substituted phenyl group. This structure imparts unique electronic and steric properties, making it valuable in pharmaceutical and agrochemical research as a versatile intermediate. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the pyridine moiety offers coordination sites for metal complexes in catalysis. Its high purity and well-defined reactivity profile facilitate its use in cross-coupling reactions and as a building block for advanced materials. The compound’s robust stability under various conditions ensures reliable performance in synthetic applications.
4-(4-(Trifluoromethyl)phenyl)pyridine structure
220000-88-4 structure
Product Name:4-(4-(Trifluoromethyl)phenyl)pyridine
CAS No:220000-88-4
MF:C12H8F3N
MW:223.193833351135
MDL:MFCD08235161
CID:253353
PubChem ID:613965
Update Time:2025-06-14

4-(4-(Trifluoromethyl)phenyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • Pyridine,4-[4-(trifluoromethyl)phenyl]-
    • 4-(4-(TRIFLUOROMETHYL)PHENYL)PYRIDINE
    • 4-[4-(trifluoromethyl)phenyl]pyridine
    • 220000-88-4
    • AKOS027320150
    • 4-(4-Trifluoromethylphenyl)pyridine
    • DTXSID90346681
    • BDBM50347604
    • SCHEMBL931294
    • BS-15987
    • D82750
    • CS-0157575
    • CHEMBL1802984
    • MFCD08235161
    • 4-(4-Trifluoromethyl-phenyl)-pyridine
    • FT-0686150
    • 4-(4-(Trifluoromethyl)phenyl)pyridine
    • MDL: MFCD08235161
    • Inchi: 1S/C12H8F3N/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-8H
    • InChI Key: XKLRYMRLOBCRPN-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1)C1C=CN=CC=1)(F)F

Computed Properties

  • Exact Mass: 223.06100
  • Monoisotopic Mass: 223.06088375g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • 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: 3.5
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89000
  • LogP: 3.76740

4-(4-(Trifluoromethyl)phenyl)pyridine 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-(4-(Trifluoromethyl)phenyl)pyridine Pricemore >>

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Additional information on 4-(4-(Trifluoromethyl)phenyl)pyridine

Comprehensive Overview of 4-(4-(Trifluoromethyl)phenyl)pyridine (CAS No. 220000-88-4)

4-(4-(Trifluoromethyl)phenyl)pyridine, with the CAS number 220000-88-4, is a specialized organic compound that has garnered significant attention in pharmaceutical and materials science research. This compound features a pyridine ring linked to a phenyl group substituted with a trifluoromethyl moiety, a structural motif known for enhancing metabolic stability and lipophilicity in drug design. Its unique properties make it a valuable intermediate in the synthesis of bioactive molecules and advanced materials.

The growing interest in 4-(4-(Trifluoromethyl)phenyl)pyridine is driven by its potential applications in medicinal chemistry, particularly in the development of kinase inhibitors and central nervous system (CNS) therapeutics. Researchers are exploring its role in modulating protein-protein interactions, a hot topic in drug discovery. Additionally, its trifluoromethyl group contributes to improved bioavailability, a key consideration in modern pharmaceutical formulations.

In the field of material science, CAS 220000-88-4 is investigated for its utility in organic electronics, such as OLEDs (Organic Light-Emitting Diodes) and photovoltaic cells. The compound's electron-withdrawing trifluoromethyl group enhances charge transport properties, aligning with the global push for sustainable energy solutions. This dual applicability in life sciences and green technology positions it as a compound of high interdisciplinary relevance.

From a synthetic perspective, 4-(4-(Trifluoromethyl)phenyl)pyridine is often prepared via Suzuki-Miyaura cross-coupling, a widely used palladium-catalyzed reaction. This method highlights the compound's compatibility with modern synthetic methodologies, a frequent search topic among organic chemists. Its stability under various conditions also makes it suitable for high-throughput screening in drug development pipelines.

Environmental and regulatory considerations surrounding fluorinated compounds have sparked discussions about the green chemistry aspects of 220000-88-4. While not classified as hazardous, researchers are investigating biodegradation pathways and eco-friendly synthesis routes to align with EPA guidelines and REACH compliance – trending topics in chemical sustainability forums.

Analytical characterization of 4-(4-(Trifluoromethyl)phenyl)pyridine typically involves NMR spectroscopy (particularly 19F-NMR for the trifluoromethyl group), mass spectrometry, and HPLC purity analysis. These techniques address common queries about compound verification in peer-reviewed research. The compound's crystallographic data has also been studied to understand its molecular packing behavior, relevant for crystal engineering applications.

The commercial availability of CAS 220000-88-4 through specialty chemical suppliers has facilitated its adoption in both academic and industrial settings. Current market trends show increased demand for such fluorinated building blocks, driven by the pharmaceutical industry's focus on targeted therapies and personalized medicine approaches. This aligns with frequent searches about scalable synthesis and GMP-grade intermediates.

Future research directions for 4-(4-(Trifluoromethyl)phenyl)pyridine may explore its potential in proteolysis targeting chimeras (PROTACs) and covalent inhibitors, two rapidly evolving areas in drug development. Its structural features could also be valuable in designing metal-organic frameworks (MOFs) for gas storage applications. These applications respond to growing interest in multifunctional materials and next-generation therapeutics across scientific communities.

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