Toluene-d8

• CAT Number: R040445
• CAS Number: 2037-26-5
• Molecular Formula: C7H8
• Molecular Weight: 100.19
• Purity: ≥95%
• Synonyms: 6-(Methyl-d3)-benzene-1,2,3,4,5-d5; Methyl-d3-Benzene-d5; Perdeuteriotoluene; [2H8]Toluene
• Storage: -20°C
• IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene
• InChI: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
• InChIKey: YXFVVABEGXRONW-JGUCLWPXSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[2H])[2H])[2H]

Toluene-d8 is a deuterated form of toluene where all eight hydrogen atoms are replaced with deuterium (heavy hydrogen). This isotopically labeled compound is widely used in nuclear magnetic resonance (NMR) spectroscopy as a solvent, providing a clear and stable medium for analyzing organic molecules. Its deuterium atoms prevent interference with the sample’s NMR signals, ensuring accurate spectral data. Toluene-d8 is also used in studies of reaction mechanisms, kinetic isotope effects, and as a tracer in various chemical processes, making it essential in both pharmaceutical and organic chemistry research.