4,5-Difluoro-2-methylbenzonitrile: Properties & Lab FAQ

4,5-Difluoro-2-methylbenzonitrile is a fluorinated aromatic nitrile compound widely used as a versatile building block in medicinal chemistry, agrochemical research, and the synthesis of advanced pharmaceutical intermediates.

Chemical Name

4,5-Difluoro-2-methylbenzonitrile

SKU / Catalog Number

D732254

Molecular Formula

C8H5F2N

Molecular Weight

153.13 g/mol

Key Functional Groups

Nitrile (–CN), two aromatic fluorine substituents, methyl group

Typical Application

Pharmaceutical and agrochemical intermediate; fluorinated building block for organic synthesis

What Is 4,5-Difluoro-2-methylbenzonitrile?

4,5-Difluoro-2-methylbenzonitrile (CAS catalog SKU D732254) is a substituted benzonitrile bearing two fluorine atoms at the 4- and 5-positions and a methyl group at the 2-position of the aromatic ring. The nitrile group (–CN) provides a handle for diverse chemical transformations, including hydrolysis to carboxylic acids, reduction to amines, and cycloaddition reactions. The presence of fluorine substituents enhances metabolic stability, lipophilicity, and binding selectivity—properties that are highly valued in drug discovery and crop-protection chemistry. This compound is supplied by Aladdin Scientific under SKU D732254 for use in research and development applications.

Purity, Grade, and Quality Specifications

Research-grade 4,5-Difluoro-2-methylbenzonitrile is typically characterized by its purity, appearance, and identity confirmation. Buyers should request a Certificate of Analysis (CoA) confirming purity by GC or HPLC, NMR spectral data for identity confirmation, and lot-specific results. When ordering from Aladdin Scientific, the CoA is available upon request and includes melting point, purity percentage, and spectroscopic identity data. Always verify that the received material matches the stated molecular formula C8H5F2N and molecular weight 153.13 g/mol before use in sensitive synthetic steps.

Note: Specific purity percentage for this SKU is not listed in the current source material; please consult the Aladdin Scientific product page or CoA for the confirmed specification.

Storage, Handling, and Safety Guidelines

As a fluorinated aromatic nitrile, 4,5-Difluoro-2-methylbenzonitrile should be handled with standard laboratory precautions appropriate for organic reagents containing a nitrile functional group. Recommended practices include:

• Store in a cool, dry, well-ventilated area away from moisture and incompatible oxidizing agents.
• Use appropriate personal protective equipment (PPE): chemical-resistant gloves, safety goggles, and a lab coat.
• Handle in a fume hood to avoid inhalation of fine particles or vapors.
• Consult the Safety Data Sheet (SDS) provided by Aladdin Scientific for full hazard classification, first-aid measures, and disposal guidance before use.

Review flag: Specific GHS hazard classifications and signal words for this compound are not confirmed in the source material; always defer to the official SDS.

Ordering, Shipping, and Returns

4,5-Difluoro-2-methylbenzonitrile is available from Aladdin Scientific under catalog number D732254. To place an order:

• Online: Search for SKU D732254 on the Aladdin Scientific website and add to cart.
• Bulk or custom quantities: Contact the Aladdin Scientific sales team for quotations on larger pack sizes or custom purity grades.
• Shipping: The compound is shipped according to applicable transport regulations for chemical reagents. Delivery timelines depend on destination and stock availability; confirm lead times at the time of order.
• Returns and refunds: Returns are subject to Aladdin Scientific's standard returns policy. Items must be in original, unopened condition. Contact customer service with your order number to initiate a return request.

For questions about pricing, promotions, or reward credits, please refer to the Aladdin Scientific website or contact customer support directly.

Common Synthetic Applications

The combination of a nitrile group and two fluorine atoms on a single aromatic scaffold makes 4,5-Difluoro-2-methylbenzonitrile a valuable intermediate in multiple synthetic contexts:

• Pharmaceutical synthesis: Serves as a precursor to fluorinated heterocyclic compounds and active pharmaceutical ingredients (APIs) where selective C–F bonds contribute to improved ADMET profiles.
• Agrochemical research: Fluorinated benzonitrile cores appear in herbicide and fungicide scaffolds; this compound can serve as a starting material for such targets.
• Cross-coupling reactions: The aryl ring is amenable to palladium-catalyzed cross-coupling (e.g., Suzuki, Buchwald–Hartwig) after appropriate functionalization.
• Nucleophilic aromatic substitution (SNAr): Activated by both the electron-withdrawing nitrile and fluorine substituents, the ring is susceptible to SNAr with suitable nucleophiles.

Review flag: Specific literature citations for these applications with this exact compound are not confirmed in the source material and should be verified before inclusion in publications.

Frequently asked questions

What is the molecular formula and molecular weight of 4,5-Difluoro-2-methylbenzonitrile?

The molecular formula of 4,5-Difluoro-2-methylbenzonitrile is C8H5F2N, with a molecular weight of 153.13 g/mol. These values should be confirmed against the Certificate of Analysis provided with your specific lot.

How should 4,5-Difluoro-2-methylbenzonitrile be stored to maintain its stability?

This compound should be stored in a cool, dry, and well-ventilated location, away from moisture, heat, and incompatible materials such as strong oxidizers. Keep the container tightly sealed when not in use. Always consult the Aladdin Scientific SDS for lot-specific storage temperature recommendations.

What catalog number (SKU) should I use to order 4,5-Difluoro-2-methylbenzonitrile from Aladdin Scientific?

The catalog number for 4,5-Difluoro-2-methylbenzonitrile at Aladdin Scientific is D732254. You can search this SKU directly on the Aladdin Scientific website to view pricing, available pack sizes, and current stock status.

Is 4,5-Difluoro-2-methylbenzonitrile suitable for use in nucleophilic aromatic substitution reactions?

Yes. The arene ring of 4,5-Difluoro-2-methylbenzonitrile is activated toward nucleophilic aromatic substitution (SNAr) by the combined electron-withdrawing effects of the nitrile group and the fluorine substituents. This makes it a useful scaffold for introducing diverse nucleophiles under appropriate reaction conditions. Researchers should optimize conditions on a case-by-case basis.

How do I request a Certificate of Analysis (CoA) or Safety Data Sheet (SDS) for this product?

You can request a Certificate of Analysis or Safety Data Sheet for D732254 by contacting Aladdin Scientific customer service with your lot number and order details. These documents are also typically available for download on the product page of the Aladdin Scientific website.

References

1. Aladdin Scientific product listing for 4,5-Difluoro-2-methylbenzonitrile, SKU D732254.
2. March, J. Advanced Organic Chemistry: Reactions, Mechanisms, and Structure. Wiley. (General reference for nucleophilic aromatic substitution and nitrile chemistry.)
3. Meanwell, N. A. Synopsis of some recent tactical application of bioisosteres in drug design. J. Med. Chem. 2011, 54, 2529–2591. (General reference for fluorine in medicinal chemistry; specific applicability to this compound needs verification.)

Products are supplied for research and development use only. Not for use in humans, animals, diagnosis, or therapy.