For chemists and materials scientists, a profound understanding of the chemical intermediates they utilize is the bedrock of successful innovation. 3-Chloro-2-methylbenzonitrile, identified by the CAS number 54454-12-5, is a compound that warrants detailed technical consideration due to its broad applicability in advanced synthesis. This article delves into its chemical properties, common applications, and the essential procurement considerations for professionals seeking this vital chemical building block.

Chemical Structure and Properties

3-Chloro-2-methylbenzonitrile possesses the molecular formula C8H6ClN, giving it a molecular weight of 151.59 g/mol. The molecule features a benzene ring substituted at the 2-position with a methyl group, at the 3-position with a chlorine atom, and at the 1-position with a nitrile (cyano) group. This specific substitution pattern dictates its reactivity. High-purity grades, typically 99% or greater, are crucial for sensitive reactions. Physically, it is characterized as a light yellow to yellow solid with a melting point between 34-36°C, indicating it exists as a solid at standard room temperatures below its melting point. Storage conditions, usually described as sealed and dry at room temperature, are important for maintaining its integrity.

Reactivity and Synthetic Applications

The chemical utility of 3-Chloro-2-methylbenzonitrile is multifaceted. The nitrile group is a versatile functional handle that can be transformed into amines, amides, carboxylic acids, and other nitrogen-containing functionalities through reduction, hydrolysis, or addition reactions. The chlorine atom, being an aryl halide, is amenable to various palladium-catalyzed cross-coupling reactions, such as Suzuki-Miyaura, Heck, and Buchwald-Hartwig amination. These reactions allow for the efficient formation of carbon-carbon and carbon-heteroatom bonds, enabling the construction of complex organic frameworks. Consequently, it finds extensive use as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.

Procurement Best Practices for Chemists

When procuring 3-Chloro-2-methylbenzonitrile for research or production, chemists and procurement managers should prioritize suppliers who can guarantee high purity (99%+). Requesting a Certificate of Analysis (CoA) for each batch is standard practice to verify critical parameters like purity, water content, and identity. Understanding the supplier's manufacturing location (e.g., China) can provide insights into production scale and cost-effectiveness. It is always advisable to obtain a free sample for preliminary testing to confirm its suitability for your specific reaction conditions. When ordering, ensure appropriate packaging and handling instructions are followed, especially regarding its storage conditions.

Global Sourcing and Supplier Reliability

For consistent access to 3-Chloro-2-methylbenzonitrile, forging a relationship with a reliable manufacturer and supplier is key. Many chemical companies offer worldwide delivery, simplifying international procurement. Evaluating suppliers based on their responsiveness, technical support, and ability to provide consistent quality over time will ensure a stable supply chain. Asking about lead times for your specific order quantity, whether for R&D or larger production runs, is also a critical step in the procurement process.

In summary, 3-Chloro-2-methylbenzonitrile (CAS 54454-12-5) is a technically significant intermediate whose reliable sourcing and understanding of its chemical properties are crucial for advancing chemical synthesis and product development. Engaging with knowledgeable suppliers ensures access to high-quality materials for your innovative projects.