Cas no 215589-24-5 (4-(4-Fluorophenoxy)benzonitrile)

4-(4-Fluorophenoxy)benzonitrile is a fluorinated aromatic compound featuring a benzonitrile core substituted with a 4-fluorophenoxy group. This structure imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. The presence of both the nitrile and fluorophenoxy functionalities enhances its reactivity in cross-coupling reactions, nucleophilic substitutions, and cyclization processes. Its high purity and stability under standard conditions ensure consistent performance in research and industrial applications. The compound's well-defined molecular architecture also facilitates its use in structure-activity relationship (SAR) studies and as a building block for more complex heterocyclic systems.
4-(4-Fluorophenoxy)benzonitrile structure
215589-24-5 structure
Product Name:4-(4-Fluorophenoxy)benzonitrile
CAS No:215589-24-5
MF:C13H8FNO
MW:213.207126617432
MDL:MFCD01815090
CID:243147
PubChem ID:1490284
Update Time:2025-11-02

4-(4-Fluorophenoxy)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-(4-fluorophenoxy)-
    • 4-(4-Fluorophenoxy)benzonitrile
    • 4-cyano-4'-fluorodiphenylether
    • 4-Cyano-4'-fluorodiphenyl Ether
    • 4-(4-fluorophenoxy)benzenecarbonitrile
    • Bionet2_000408
    • Oprea1_877282
    • HMS1365C12
    • STK351510
    • SBB024538
    • PC410059
    • AB1008036
    • BC4161571
    • ST45123423
    • F0532
    • MFCD01815090
    • 215589-24-5
    • SCHEMBL3138833
    • AKOS000222227
    • CS-0159428
    • 12N-083
    • D90678
    • DTXSID30363418
    • EN300-1082827
    • NXVPHQNXBDDVCT-UHFFFAOYSA-N
    • MDL: MFCD01815090
    • Inchi: 1S/C13H8FNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
    • InChI Key: NXVPHQNXBDDVCT-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)OC1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 213.05900
  • Monoisotopic Mass: 213.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 256
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.3
  • Topological Polar Surface Area: 33

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.24
  • Melting Point: 66.0 to 71.0 deg-C
  • Boiling Point: 322.8°C at 760 mmHg
  • Flash Point: 149°C
  • Refractive Index: 1.591
  • PSA: 33.02000
  • LogP: 3.48968
  • Solubility: Not determined

4-(4-Fluorophenoxy)benzonitrile Security Information

4-(4-Fluorophenoxy)benzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-(4-Fluorophenoxy)benzonitrile Pricemore >>

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Additional information on 4-(4-Fluorophenoxy)benzonitrile

4-(4-Fluorophenoxy)benzonitrile (CAS No. 215589-24-5): A Comprehensive Overview of Properties and Applications

4-(4-Fluorophenoxy)benzonitrile (CAS No. 215589-24-5) is an important organic compound that has garnered significant attention in various chemical and pharmaceutical applications. This aromatic nitrile derivative is characterized by its unique molecular structure, featuring a fluorophenoxy group attached to a benzonitrile moiety. The presence of both fluorine and nitrile functional groups in this compound makes it particularly valuable in synthetic chemistry and material science.

The compound's systematic name, 4-(4-fluorophenoxy)benzonitrile, reflects its precise chemical structure. It is also known by other names such as p-fluorophenoxybenzonitrile and 4-fluorophenyl benzonitrile ether in scientific literature. With a molecular formula of C13H8FNO and a molecular weight of 213.21 g/mol, this compound exhibits interesting physicochemical properties that make it suitable for various applications.

One of the most notable features of 4-(4-fluorophenoxy)benzonitrile is its stability under normal conditions. The compound typically appears as a white to off-white crystalline powder with a melting point ranging between 80-85°C. Its solubility profile shows moderate solubility in common organic solvents like dichloromethane, ethyl acetate, and acetonitrile, while being practically insoluble in water. This solubility characteristic makes it particularly useful in organic synthesis and pharmaceutical formulations.

In recent years, the demand for fluorinated organic compounds like 4-(4-fluorophenoxy)benzonitrile has significantly increased due to their importance in drug discovery and material science. The fluorine atom in the molecule often enhances the biological activity and metabolic stability of pharmaceutical compounds, making this chemical a valuable building block in medicinal chemistry. Researchers frequently search for information about "fluorophenoxy compounds applications" and "benzonitrile derivatives in drug discovery," highlighting the growing interest in this class of chemicals.

The synthesis of 4-(4-fluorophenoxy)benzonitrile typically involves the nucleophilic aromatic substitution reaction between 4-fluorophenol and 4-fluorobenzonitrile in the presence of a base. This efficient synthetic route has made the compound readily available for research and industrial applications. Many scientists are particularly interested in "synthesis of fluorinated benzonitriles" and "optimization of phenoxybenzonitrile production," as these topics frequently appear in search queries related to this compound.

From an application perspective, 4-(4-fluorophenoxy)benzonitrile serves as a crucial intermediate in the pharmaceutical industry. It finds use in the synthesis of various bioactive molecules, including potential kinase inhibitors and antidepressant agents. The compound's ability to serve as a rigid spacer in molecular design makes it valuable for creating compounds with specific biological activities. Recent search trends show growing interest in "pharmaceutical intermediates for CNS drugs" and "fluorinated building blocks in drug design," areas where this chemical plays a significant role.

Beyond pharmaceuticals, 4-(4-fluorophenoxy)benzonitrile has applications in material science, particularly in the development of liquid crystals and organic semiconductors. The compound's aromatic structure and dipolar nature contribute to interesting electronic properties that are valuable in advanced materials. Researchers exploring "nitrile-containing materials for electronics" or "fluorinated aromatic compounds for OLEDs" often encounter this versatile chemical in their work.

The market for 4-(4-fluorophenoxy)benzonitrile has shown steady growth, driven by increasing demand from both pharmaceutical and material science sectors. Current market analysis reveals that suppliers are focusing on improving production processes to meet the growing needs of research institutions and industrial users. Popular search terms like "suppliers of 4-(4-fluorophenoxy)benzonitrile" and "pricing trends for fluorophenoxy compounds" reflect the commercial interest in this chemical.

From a safety perspective, 4-(4-fluorophenoxy)benzonitrile requires standard laboratory precautions during handling. While not classified as highly hazardous, proper personal protective equipment including gloves and safety glasses should be worn when working with this compound. The material safety data sheet (MSDS) provides detailed information about handling, storage, and disposal procedures. Safety-related searches such as "handling precautions for benzonitrile derivatives" are common among laboratory personnel working with this material.

Looking toward the future, research on 4-(4-fluorophenoxy)benzonitrile continues to expand, with new applications emerging in areas like agrochemicals and flavors & fragrances. The compound's versatility as a building block ensures its ongoing relevance in chemical research and development. Emerging search trends include "new applications of fluorophenoxy compounds" and "green synthesis of aromatic nitriles," indicating directions for future investigations.

For researchers and industry professionals seeking high-quality 4-(4-fluorophenoxy)benzonitrile, it's essential to source the material from reputable suppliers who can provide proper characterization data including HPLC purity, NMR spectra, and mass spectrometry confirmation. The compound is typically available in research quantities ranging from grams to kilograms, with customization options for specific purity requirements. Common procurement-related searches include "high purity 4-(4-fluorophenoxy)benzonitrile" and "custom synthesis of fluorinated benzonitriles."

In conclusion, 4-(4-fluorophenoxy)benzonitrile (CAS No. 215589-24-5) represents an important class of fluorinated aromatic compounds with wide-ranging applications in pharmaceuticals, materials science, and chemical research. Its unique combination of structural features and physicochemical properties continues to make it a valuable tool for scientists across multiple disciplines. As research progresses, we can expect to see even more innovative uses for this versatile compound emerge in the coming years.

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