Cas no 118693-55-3 (4-(2-Hydroxynaphthalen-1-yl)benzonitrile)

4-(2-Hydroxynaphthalen-1-yl)benzonitrile is a specialized organic compound featuring a hydroxynaphthalene core linked to a benzonitrile group. This structure imparts unique photophysical and electronic properties, making it valuable in materials science and organic synthesis. The hydroxyl group enhances solubility in polar solvents, facilitating its use in solution-phase reactions, while the nitrile moiety offers reactivity for further functionalization. Its conjugated aromatic system suggests potential applications in optoelectronic materials, such as organic semiconductors or fluorescent dyes. The compound’s stability and well-defined structure also make it a useful intermediate in pharmaceutical and agrochemical research. Careful handling is advised due to its sensitivity to light and moisture.
4-(2-Hydroxynaphthalen-1-yl)benzonitrile structure
118693-55-3 structure
Product Name:4-(2-Hydroxynaphthalen-1-yl)benzonitrile
CAS No:118693-55-3
MF:C17H11NO
MW:245.275344133377
CID:1094101
PubChem ID:14044594
Update Time:2025-05-21

4-(2-Hydroxynaphthalen-1-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(2-Hydroxynaphthalen-1-yl)benzonitrile
    • SCHEMBL19435502
    • 118693-55-3
    • Inchi: 1S/C17H11NO/c18-11-12-5-7-14(8-6-12)17-15-4-2-1-3-13(15)9-10-16(17)19/h1-10,19H
    • InChI Key: JIJGXZFJJXBCOK-UHFFFAOYSA-N
    • SMILES: OC1C=CC2C=CC=CC=2C=1C1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 245.084063974g/mol
  • Monoisotopic Mass: 245.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 350
  • 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: 4.2
  • Topological Polar Surface Area: 44?2

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Additional information on 4-(2-Hydroxynaphthalen-1-yl)benzonitrile

4-(2-Hydroxynaphthalen-1-yl)benzonitrile (CAS No. 118693-55-3): A Versatile Chemical Compound for Advanced Applications

4-(2-Hydroxynaphthalen-1-yl)benzonitrile, with the CAS number 118693-55-3, is a specialized organic compound that has garnered significant attention in the fields of materials science, pharmaceuticals, and organic synthesis. This compound, characterized by its unique molecular structure combining a hydroxynaphthalene moiety with a benzonitrile group, offers a wide range of applications due to its photophysical and chemical properties. Researchers and industries are increasingly exploring its potential, especially in the development of advanced materials and bioactive molecules.

The molecular structure of 4-(2-Hydroxynaphthalen-1-yl)benzonitrile features a naphthalene ring substituted with a hydroxyl group at the 2-position and a benzonitrile group at the 1-position. This arrangement imparts unique electronic properties, making it a valuable intermediate in organic synthesis. The presence of both hydroxyl and nitrile functional groups allows for diverse chemical modifications, enabling the creation of derivatives with tailored properties for specific applications.

One of the most prominent applications of 4-(2-Hydroxynaphthalen-1-yl)benzonitrile is in the field of organic electronics. With the growing demand for flexible and lightweight electronic devices, this compound has been investigated for its potential use in organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). Its ability to absorb and emit light in the visible spectrum makes it a promising candidate for next-generation display technologies and solar cells. Recent studies have highlighted its efficiency in charge transport, which is critical for enhancing the performance of these devices.

In the pharmaceutical industry, 4-(2-Hydroxynaphthalen-1-yl)benzonitrile has shown promise as a building block for the synthesis of bioactive molecules. Its structural features allow for the development of compounds with potential therapeutic effects, particularly in the areas of anti-inflammatory and anticancer research. The hydroxynaphthalene moiety is known for its interaction with biological targets, while the benzonitrile group can enhance the compound's stability and bioavailability. These attributes make it a valuable scaffold for drug discovery programs.

The compound's role in fluorescence-based sensors is another area of active research. Due to its inherent fluorescence properties, 4-(2-Hydroxynaphthalen-1-yl)benzonitrile can be used to develop sensors for detecting metal ions, small molecules, and environmental pollutants. This application aligns with the increasing global focus on environmental monitoring and safety, making it a relevant topic for both academic and industrial research.

From a synthetic chemistry perspective, 4-(2-Hydroxynaphthalen-1-yl)benzonitrile serves as a versatile intermediate. Its reactivity allows for various transformations, including coupling reactions, cyclizations, and functional group interconversions. These reactions enable the preparation of complex molecules with potential applications in agrochemicals, dyes, and specialty chemicals. The compound's adaptability underscores its importance in modern synthetic methodologies.

Market trends indicate a rising demand for 4-(2-Hydroxynaphthalen-1-yl)benzonitrile, driven by its expanding applications in high-tech industries. Suppliers and manufacturers are increasingly focusing on scalable synthesis methods to meet this demand while ensuring cost-effectiveness and environmental sustainability. The compound's compatibility with green chemistry principles further enhances its appeal, as industries strive to reduce their environmental footprint.

In conclusion, 4-(2-Hydroxynaphthalen-1-yl)benzonitrile (CAS No. 118693-55-3) is a multifaceted compound with significant potential across multiple disciplines. Its unique structural features, combined with its diverse applications, make it a subject of ongoing research and development. As industries continue to innovate, this compound is poised to play a pivotal role in advancing technologies and improving quality of life. For researchers and professionals seeking reliable information on this compound, understanding its properties and applications is essential for leveraging its full potential.

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