4-Bromotoluene-d3

• CAT Number: R035896
• CAS Number: 22328-44-5
• Molecular Formula: C7H7Br
• Molecular Weight: 174.055
• Purity: ≥95%
• Synonyms: p-Bromotoluene-α,α,α-d3; 1-​Bromo-​4-​(methyl-​d3)​benzene
• Storage: Store at +4C
• IUPAC Name: 1-bromo-4-(trideuteriomethyl)benzene
• InChI: InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3/i1D3
• InChIKey: ZBTMRBYMKUEVEU-FIBGUPNXSA-N
• SMILES: [2H]C([2H])([2H])C1=CC=C(C=C1)Br

4-Bromotoluene-d3 is a deuterated version of 4-bromotoluene, where three hydrogen atoms on the methyl group are replaced with deuterium. This isotopically labeled compound is particularly useful in organic synthesis, where it serves as a precursor or intermediate in the production of more complex molecules. The deuterium labeling enhances the stability and allows for precise tracking in analytical techniques like NMR spectroscopy and mass spectrometry, making it ideal for studying reaction mechanisms and kinetic isotope effects. 4-Bromotoluene-d3 is commonly used in research focused on the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals, providing reliable data for understanding chemical transformations and optimizing synthetic pathways.