In chemical research and development, accurate characterization of compounds is as crucial as their synthesis. For intermediates like 2-Methyl-3-(trifluoromethyl)benzyl bromide (CAS 261952-16-3), a thorough understanding of its spectroscopic properties provides definitive identification and confirms its purity. NINGBO INNO PHARMCHEM CO.,LTD., a reliable supplier of chemical reagents, highlights the importance of these analyses.

Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for elucidating the structure of organic molecules. For 2-Methyl-3-(trifluoromethyl)benzyl bromide, Proton NMR (¹H NMR) reveals characteristic signals. The methylene protons (-CH₂Br) typically appear as a singlet in the downfield region (around 4.5-4.7 ppm) due to the deshielding effect of the bromine atom. The methyl group (-CH₃) attached to the aromatic ring typically resonates as a singlet in the upfield region (around 2.3-2.5 ppm). The aromatic protons show distinct splitting patterns influenced by the substituents, providing further structural confirmation. Fluorine-19 NMR (¹⁹F NMR) definitively identifies the trifluoromethyl (-CF₃) group, usually appearing as a sharp singlet in the range of -60 to -65 ppm, a testament to the precision of this chemical reagent.

Mass Spectrometry (MS) provides information about the molecular weight and fragmentation patterns, which are unique fingerprints of a molecule. Electron ionization (EI) MS of 2-Methyl-3-(trifluoromethyl)benzyl bromide typically shows a molecular ion peak (M⁺) at m/z 253, reflecting its molecular formula C₉H₈BrF₃. Common fragmentation pathways include the loss of bromine (M-Br)⁺ and the loss of the bromomethyl radical (M-CH₂Br)⁺, leading to stable benzylic cations. The prominent tropylium ion (C₇H₇⁺) at m/z 91 is often observed as the base peak due to its high stability.

Infrared (IR) spectroscopy complements these techniques by identifying functional groups based on their vibrational frequencies. The trifluoromethyl group exhibits strong absorption bands in the C-F stretching region (around 1170-1230 cm⁻¹ and 730-780 cm⁻¹). The C-Br stretching vibration typically appears in the 515-690 cm⁻¹ range. These characteristic IR absorptions confirm the presence of key structural features, ensuring the quality of the chemical intermediate provided by NINGBO INNO PHARMCHEM CO.,LTD.

For researchers and manufacturers, detailed spectroscopic data is critical for quality assurance and to ensure that the chemical intermediate performs as expected in subsequent synthetic steps. The availability of this comprehensive spectral analysis from NINGBO INNO PHARMCHEM CO.,LTD. underscores their commitment to providing high-quality, well-characterized chemical reagents for advanced research and industrial applications. Utilizing such well-characterized compounds ensures efficiency and reliability in your projects.