1427438-75-2 | Benzonitrile, 4-bromo-2-fluoro-6-methyl-

CAS:1427438-75-2 | Benzonitrile, 4-bromo-2-fluoro-6-methyl-,Description

4-Bromo-2-fluoro-6-methylbenzonitrile is a chemical compound with the molecular formula C8H5BrFN. It has a molecular weight of 214.04.

Synthesis Analysis

4-Bromo-2-fluoro-6-methylbenzonitrile can be synthesized through a variety of methods. One common method involves the reaction of 2-fluorobenzonitrile with bromine in the presence of a Lewis acid catalyst such as aluminum trichloride.

Molecular Structure Analysis

The InChI code for 4-Bromo-2-fluoro-6-methylbenzonitrile is 1S/C8H5BrFN/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3. This code provides a specific description of the molecule’s structure.

Physical And Chemical Properties Analysis

4-Bromo-2-fluoro-6-methylbenzonitrile is a solid at room temperature. It has a density of 1.6±0.1 g/cm3. The boiling point is 255.6±35.0 °C at 760 mmHg. The compound is insoluble in water but soluble in organic solvents such as methanol, ethanol, and dichloromethane.

Scientific Research Applications

Organic Nonlinear Optical (NLO) Materials

• Summary of the Application : 4-Bromo-2-fluoro-6-methylbenzonitrile is used in the fabrication of organic nonlinear optical (NLO) materials. These materials are composed of organic compounds, which contain carbon-based molecules, and are specifically designed or synthesized to exhibit enhanced nonlinear optical effects.
• Methods of Application or Experimental Procedures : The 4-bromo-2-methylbenzonitrile single organic nonlinear optical crystal was prepared at room temperature by the slow evaporation method. The grown crystal’s crystalline nature was verified, and the unit cell characteristics are provided as a=4.08 Å, b=6.61 Å, c=28.93 Å, α=90°, β=90°, γ=90°.
• Results or Outcomes : UV–Vis optical studies show UV cutoff wavelength at 221.6 nm, and the bandgap of the grown crystal was estimated at 4.87 eV using the Taucs’ plot. Photoluminescence spectra exhibited violet and red emissions. A high dielectric constant was received at a low frequency. The TG/DTA curve shows that the grown crystal was stable up to 125.59 °C. The Kurtz-Perry powder technique was applied to confirm the Second Harmonic Generation’s nature.

Pharmaceutical Industry

• Summary of the Application : 4-Bromo-2-fluoro-6-methylbenzonitrile is commonly used in the pharmaceutical industry. It is used to produce various types of drugs.
• Methods of Application or Experimental Procedures : The specific methods of application or experimental procedures can vary widely depending on the specific drug being produced. Typically, it involves complex chemical reactions under controlled conditions.
• Results or Outcomes : The outcomes can also vary widely, but the end result is typically the production of drugs such as anticancer agents, antifungal agents, and antiviral agents.

Agrochemical Industry

• Summary of the Application : 4-Bromo-2-fluoro-6-methylbenzonitrile is also used in the agrochemical industry. It is used to produce pesticides and herbicides.
• Methods of Application or Experimental Procedures : Similar to the pharmaceutical industry, the specific methods of application or experimental procedures can vary widely depending on the specific pesticide or herbicide being produced. It typically involves complex chemical reactions under controlled conditions.
• Results or Outcomes : The outcomes can also vary widely, but the end result is typically the production of pesticides and herbicides that are used in agriculture to control pests and weeds.

Material Science

• Summary of the Application : 4-Bromo-2-fluoro-6-methylbenzonitrile is used in the field of material science. It is used in the synthesis of various materials.
• Methods of Application or Experimental Procedures : The specific methods of application or experimental procedures can vary widely depending on the specific material being synthesized. It typically involves complex chemical reactions under controlled conditions.
• Results or Outcomes : The outcomes can also vary widely, but the end result is typically the production of materials with specific properties that are used in various applications.

Antibacterial Property

• Summary of the Application : 4-Bromo-2-fluoro-6-methylbenzonitrile has been found to have antibacterial properties.
• Methods of Application or Experimental Procedures : The antibacterial property of the grown 4B2MBN crystal was determined using the agar diffusion method.
• Results or Outcomes : The results of this application are not specified in the source.

Safety And Hazards

The compound is associated with several hazard statements, including H302 (Harmful if swallowed), H315 (Causes skin irritation), H319 (Causes serious eye irritation), and H335 (May cause respiratory irritation). Precautionary measures include avoiding breathing dust, avoiding contact with skin and eyes, and wearing protective clothing, gloves, safety glasses, and a dust respirator.

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