Methyl 2-nitro-4-(trifluoromethyl)benzoate, a compound with the Chemical Abstracts Service (CAS) registry number 228418-45-9, is a significant organic molecule utilized in various chemical synthesis processes. This article aims to provide a comprehensive understanding of its fundamental chemical identity and properties, essential for researchers and industrial chemists working with this compound. Its systematic nomenclature and structural features are key to appreciating its reactivity and applications.

The compound is chemically known as Methyl 2-nitro-4-(trifluoromethyl)benzoate. It is also recognized by several synonyms, including 2-Nitro-4-trifluoromethylbenzoic acid methyl ester and 4-(Methoxycarbonyl)-3-nitrobenzotrifluoride. These names reflect its core structure, which is a benzoic acid methyl ester backbone functionalized with a nitro group (-NO₂) at the ortho position (carbon 2) and a trifluoromethyl group (-CF₃) at the para position (carbon 4) relative to the ester group. This specific arrangement of electron-withdrawing substituents significantly influences the compound's electronic distribution and reactivity.

The molecular formula of Methyl 2-nitro-4-(trifluoromethyl)benzoate is C₉H₆F₃NO₄, corresponding to a molecular weight of 249.14 g/mol. This molecular weight is derived from the atomic masses of carbon, hydrogen, fluorine, nitrogen, and oxygen atoms within its structure. Understanding these basic chemical identifiers is the first step in its proper handling, synthesis, and application.

Physically, this compound is often described as a powder or a liquid, with a density of approximately 1.443 g/cm³. While specific details on its appearance may vary, related benzoate esters often present as crystalline solids. Its solubility profile indicates limited solubility in common organic solvents such as acetonitrile, chloroform, and DMSO, which is an important consideration for experimental design. NINGBO INNO PHARMCHEM CO.,LTD ensures the provision of this compound with consistent purity, enabling reliable use in diverse chemical applications, including its role as a crucial intermediate in the synthesis of OLED materials and various pharmaceutical compounds. This detailed understanding of its chemical identity and properties is vital for leveraging its full potential.