1261823-31-7 | 2-Fluoro-3-formyl-benzonitrile

CAS:1261823-31-7 | 2-Fluoro-3-formyl-benzonitrile,Description

“2-Fluoro-3-formylbenzonitrile” is a chemical compound with the linear formula C8H4FNO. It has a molecular weight of 149.12. It is typically stored at room temperature in an inert atmosphere.

Synthesis Analysis

While specific synthesis methods for “2-Fluoro-3-formylbenzonitrile” were not found in the search results, it’s worth noting that similar compounds can be synthesized from o-methylphenol through a series of reactions including nitration, hydroxyl chlorination, fluorination, and oxidation.

Molecular Structure Analysis

The InChI code for “2-Fluoro-3-formylbenzonitrile” is 1S/C8H4FNO/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3,5H. This indicates the molecular structure of the compound.

Physical And Chemical Properties Analysis

“2-Fluoro-3-formylbenzonitrile” is a solid at room temperature. It has a boiling point of 209.4°C at 760 mmHg. and 97%.

Scientific Research Applications

Structural and Electronic Properties

• Energetic and Structural Study: Research on 2-fluoro-3-formylbenzonitrile contributes to understanding its structural and electronic properties. Studies have investigated the standard molar enthalpies of formation, vapor-pressure, and thermodynamic properties, providing insights into its energetic behavior and potential applications in materials science and chemistry (Ribeiro da Silva et al., 2012).

Synthetic Chemistry Applications

• Synthesis of Novel Compounds: The compound has applications in the synthesis of various organic molecules. For instance, its derivatives have been utilized in synthesizing benzothienopyrimidines, demonstrating its utility in the field of heterocyclic chemistry (Bridges & Zhou, 1997).
• Halodeboronation of Aryl Boronic Acids: It is used in the halodeboronation of aryl boronic acids, showcasing its role in the development of scalable synthetic processes (Szumigala et al., 2004).

Materials Science

• Liquid Crystal Technology: The compound and its derivatives are important in the synthesis of materials with liquid-crystal properties. Research has shown that fluorine-substituted esters derived from it exhibit higher transition temperatures, indicating potential applications in display technologies and materials engineering (Kelly & Schad, 1984).

Medicinal Chemistry and Imaging

• Radiotracer Development: It is relevant in the preparation of radiotracers for positron emission tomography (PET) imaging. This illustrates its significance in the development of diagnostic tools in medicine (Lim et al., 2014).

Green Chemistry

• Fluorous Synthetic Route: It plays a role in green chemistry through the development of fluorous synthetic routes. This includes the synthesis of benzisoxazoles and benzoxazines, highlighting its utility in environmentally friendly chemical processes (Ang et al., 2013).

Spectroscopy and Molecular Studies

• Spectroscopic Studies: Its derivatives are studied for their spectroscopic properties, contributing to the understanding of molecular structures and behaviors (Kumar & Raman, 2017).

Safety And Hazards

The compound is classified as harmful if swallowed, in contact with skin, or if inhaled. It can cause skin and eye irritation, and may cause respiratory irritation. Safety measures include avoiding dust formation, avoiding breathing in mist, gas, or vapors, avoiding contact with skin and eyes, using personal protective equipment, wearing chemical impermeable gloves, ensuring adequate ventilation, removing all sources of ignition, and evacuating personnel to safe areas.

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