In the meticulous process of chemical synthesis, understanding the intrinsic properties of intermediates is fundamental to achieving successful outcomes. 2-Fluoro-4-methoxybenzonitrile, a compound identified by CAS number 94610-82-9, is a highly valued intermediate due to its specific chemical and physical characteristics. These properties dictate its reactivity, stability, and suitability for various applications, particularly within the pharmaceutical and fine chemical industries.

Chemical Structure and Functional Groups

The molecular formula of 2-Fluoro-4-methoxybenzonitrile is C8H6FNO, with a molecular weight of approximately 151.14 g/mol. The molecule is distinguished by the presence of three key functional groups attached to a benzene ring: a fluorine atom at the ortho position, a methoxy group at the para position, and a nitrile group. This specific arrangement is crucial:

  • Fluorine Atom: Fluorine substitution often enhances a molecule's lipophilicity, metabolic stability, and binding affinity, properties highly desirable in pharmaceutical compounds.
  • Methoxy Group (-OCH3): The electron-donating methoxy group influences the electronic distribution within the aromatic ring, affecting its reactivity in electrophilic aromatic substitution reactions and potentially altering solubility.
  • Nitrile Group (-C≡N): The nitrile group is a versatile synthetic handle, readily convertible into various other functional groups like carboxylic acids, amides, amines, or tetrazoles, making it pivotal for building complex molecular architectures.

Physical Properties and Handling

2-Fluoro-4-methoxybenzonitrile typically presents as a white solid. Its physical properties, such as melting point and boiling point, are important for process design and purification. While specific melting point ranges can vary slightly depending on purity, it is generally observed between 62-65°C. The boiling point is reported around 233.9°C at standard atmospheric pressure (760 mmHg), indicating its relatively low volatility. The density is approximately 1.18 g/cm³, and its refractive index is around 1.505. For chemists aiming to buy 2-Fluoro-4-methoxybenzonitrile, understanding these properties aids in designing reaction conditions and storage protocols. When sourcing, always check for a purity of ≥99.0% from a reputable CAS 94610-82-9 supplier.

Reactivity and Synthetic Utility

The combined electronic effects of the substituents on the benzene ring dictate the reactivity of 2-Fluoro-4-methoxybenzonitrile. The fluorine atom and nitrile group are electron-withdrawing, while the methoxy group is electron-donating. This balance influences the susceptibility of the aromatic ring to further substitution and the reactivity of the nitrile group itself. Its utility as a pharmaceutical intermediate lies in the ability to precisely introduce these functional groups into larger target molecules. When you require this compound, consulting with a knowledgeable 2-Fluoro-4-methoxybenzonitrile manufacturer can provide deeper insights into its optimal synthetic applications.

Conclusion

The detailed chemical and physical properties of 2-Fluoro-4-methoxybenzonitrile are what make it an indispensable tool for organic chemists. From its versatile functional groups to its specific physical characteristics, this intermediate empowers the creation of novel compounds with tailored properties, particularly in the pursuit of new pharmaceutical therapies.