For chemists and researchers working with specialized organic compounds, a thorough understanding of a molecule's properties and reactivity is crucial for successful synthesis and application. 2-Methyl-3-nitrobenzotrifluoride (CAS 6656-49-1) is a compound that merits such attention due to its unique structural features and diverse synthetic potential. This article provides an overview of its key chemical characteristics, handling considerations, and its role as an intermediate.

Chemical Structure and Key Properties

2-Methyl-3-nitrobenzotrifluoride is an aromatic compound with the molecular formula C₈H₆F₃NO₂. Its structure is notable for the presence of three distinct substituents on the benzene ring: a methyl group (-CH₃) at the 2-position, a nitro group (-NO₂) at the 3-position, and a trifluoromethyl group (-CF₃) at the 1-position. These groups significantly influence the molecule's reactivity:

  • Trifluoromethyl Group (-CF₃): This is a strongly electron-withdrawing group, impacting the electron density of the aromatic ring and activating it towards nucleophilic aromatic substitution, while deactivating it towards electrophilic substitution.
  • Nitro Group (-NO₂): Also a strong electron-withdrawing group, it further deactivates the ring towards electrophilic attack and directs incoming electrophiles to the meta position. It is also a key functional group that can be reduced to an amine.
  • Methyl Group (-CH₃): This is a weakly electron-donating and ortho, para-directing group.

Physically, the compound is described as a clear, faint yellow liquid with a density of approximately 1.40 g/cm³ and a boiling point of 86 °C (at 10 mmHg). Its refractive index is around 1.4780, and it has a flash point above 100°C, indicating moderate flammability.

Handling, Storage, and Safety

As with many organic intermediates, proper handling and storage are essential for maintaining the quality and stability of 2-Methyl-3-nitrobenzotrifluoride. The compound is typically stored at room temperature or under refrigeration (2-8°C) in tightly sealed containers to prevent contamination and degradation. It is advisable to store it away from strong oxidizing agents, strong bases, and heat sources. Users should consult the Material Safety Data Sheet (MSDS) for comprehensive safety information, including recommended personal protective equipment (PPE) such as gloves, safety glasses, and lab coats.

Synthetic Utility and Applications

The true value of 2-Methyl-3-nitrobenzotrifluoride lies in its utility as a synthetic intermediate. The nitro group can be readily reduced to an amine, yielding 2-methyl-3-aminobenzotrifluoride. This transformation is a critical step in the synthesis of various pharmaceutical agents, including anti-inflammatory compounds. Furthermore, its structure makes it a precursor for agrochemicals and advanced materials, showcasing its broad applicability.

For procurement professionals and researchers, sourcing this compound from reliable manufacturers is key. When you buy 2-Methyl-3-nitrobenzotrifluoride, ensuring high purity (≥98%) from a trusted supplier like those offering competitive pricing and consistent quality is paramount for successful project outcomes. Consider partnering with a reputable manufacturer in China for efficient and cost-effective acquisition.

Understanding the chemical properties and synthetic potential of intermediates like 2-Methyl-3-nitrobenzotrifluoride empowers chemists to develop innovative solutions across various industries.