TOLUENE (METHYL-D3)

• CAT Number: M048730
• CAS Number: 1124-18-1
• Molecular Formula: C7H8
• Molecular Weight: 95.159
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: trideuteriomethylbenzene
• InChI: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3
• InChIKey: YXFVVABEGXRONW-FIBGUPNXSA-N
• SMILES: [2H]C([2H])([2H])C1=CC=CC=C1

Toluene (Methyl-D3) is a deuterium-labeled form of toluene where three hydrogen atoms in the methyl group are replaced with deuterium. This labeling enhances its use in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy by providing improved sensitivity and accuracy. Toluene is a common solvent and precursor in organic synthesis, and the deuterium-labeled version is valuable for studying reaction mechanisms, tracking the fate of toluene in chemical processes, and analyzing molecular interactions. It is also used in calibration and validation of analytical methods, ensuring precise measurement and reliable data in chemical research and industrial applications.