Cas no 186191-34-4 (4-Ethoxy-2-fluorobenzonitrile)

4-Ethoxy-2-fluorobenzonitrile is a fluorinated aromatic nitrile compound with the molecular formula C9H8FNO. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The ethoxy and fluorine substituents enhance its reactivity, enabling selective functionalization in cross-coupling reactions, nucleophilic substitutions, and cyclization processes. Its high purity and stability make it suitable for precision applications in medicinal chemistry and material science. The compound's well-defined structure and consistent performance ensure reliable results in research and industrial settings. Proper handling under controlled conditions is recommended due to its potential sensitivity to moisture and light.
4-Ethoxy-2-fluorobenzonitrile structure
4-Ethoxy-2-fluorobenzonitrile structure
Product Name:4-Ethoxy-2-fluorobenzonitrile
CAS No:186191-34-4
MF:C9H8FNO
MW:165.164325714111
MDL:MFCD13196591
CID:3165956
PubChem ID:21846099
Update Time:2025-05-23

4-Ethoxy-2-fluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Ethoxy-2-fluorobenzonitrile
    • CS-0448974
    • H27934
    • JS-4909
    • MFCD13196591
    • DB-396925
    • A1-01295
    • SCHEMBL7323185
    • Benzonitrile, 4-ethoxy-2-fluoro-
    • 186191-34-4
    • AKOS015956684
    • MDL: MFCD13196591
    • Inchi: 1S/C9H8FNO/c1-2-12-8-4-3-7(6-11)9(10)5-8/h3-5H,2H2,1H3
    • InChI Key: MJFCNALIRFIEAS-UHFFFAOYSA-N
    • SMILES: FC1=C(C#N)C=CC(=C1)OCC

Computed Properties

  • Exact Mass: 165.058992041Da
  • Monoisotopic Mass: 165.058992041Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 2.1
  • Topological Polar Surface Area: 33?2

4-Ethoxy-2-fluorobenzonitrile Pricemore >>

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abcr
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abcr
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Additional information on 4-Ethoxy-2-fluorobenzonitrile

4-Ethoxy-2-Fluorobenzonitrile: A Comprehensive Overview

4-Ethoxy-2-fluorobenzonitrile, also known by its CAS number 186191-34-4, is a versatile organic compound that has garnered significant attention in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a benzonitrile core with an ethoxy group at the 4-position and a fluorine atom at the 2-position. The combination of these substituents imparts distinctive electronic and steric properties, making it a valuable building block in organic synthesis and a promising candidate for advanced materials development.

The synthesis of 4-ethoxy-2-fluorobenzonitrile typically involves multi-step reactions, often starting from fluorinated aromatic precursors. Recent advancements in catalytic methods have enabled more efficient and selective pathways for its preparation. For instance, researchers have explored the use of transition metal catalysts to facilitate coupling reactions, significantly improving the yield and purity of the compound. These developments underscore the importance of 4-ethoxy-2-fluorobenzonitrile in modern organic synthesis.

In terms of chemical properties, 4-ethoxy-2-fluorobenzonitrile exhibits notable stability under standard conditions, though it can undergo various transformations under specific reaction conditions. Its cyano group is particularly reactive, making it a valuable substrate for nucleophilic addition reactions. Recent studies have highlighted its potential as a precursor for the synthesis of bioactive molecules, including pharmaceutical agents. For example, researchers have successfully utilized this compound to synthesize novel kinase inhibitors with promising therapeutic potential.

The electronic properties of 4-ethoxy-2-fluorobenzonitrile make it an attractive candidate for applications in materials science. Its ability to act as an electron-deficient aromatic system has led to its use in the development of advanced polymers and organic semiconductors. Recent breakthroughs in this area include the incorporation of this compound into polymer frameworks that exhibit enhanced electrical conductivity and mechanical stability. These findings suggest that 4-ethoxy-2-fluorobenzonitrile could play a pivotal role in the next generation of electronic materials.

Beyond its chemical applications, 4-ethoxy-2-fluorobenzonitrile has also found relevance in environmental chemistry. Studies have demonstrated its ability to act as a stabilizing agent in certain industrial processes, reducing the formation of harmful byproducts. This dual functionality highlights the compound's versatility and underscores its importance across multiple disciplines.

In conclusion, 4-Ethoxy-2-fluorobenzonitrile (CAS No: 186191-34-4) is a multifaceted compound with significant potential in organic synthesis, materials science, and pharmaceutical development. Its unique structure and reactivity continue to drive innovative research, ensuring its relevance in both academic and industrial settings for years to come.

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