1-Methyl-1H-benzotriazole-d3

• CAT Number: R036825
• CAS Number: NA
• Molecular Formula: C₇H₄D₃N₃
• Molecular Weight: 136.17
• Purity: ≥95%
• Synonyms: 1-Methyl-1,2,3-benzotriazole-d3; 1-Methylbenzotriazole-d3; NSC 11743-d3
• Storage: Store at +4C
• IUPAC Name: 1-(trideuteriomethyl)benzotriazole
• InChI: InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3/i1D3
• InChIKey: HXQHRUJXQJEGER-FIBGUPNXSA-N
• SMILES: [2H]C([2H])([2H])N1C2=CC=CC=C2N=N1

1-Methyl-1H-benzotriazole-d3 is a deuterated form of 1-methyl-1H-benzotriazole, where three hydrogen atoms are replaced with deuterium. This isotopically labeled compound is used extensively in chemical research, particularly in the study of reaction mechanisms and kinetic isotope effects. The deuterium atoms enable precise tracking in NMR spectroscopy and mass spectrometry, making it valuable in organic synthesis and material science. 1-Methyl-1H-benzotriazole itself is known for its role as a corrosion inhibitor, ligand in coordination chemistry, and stabilizer in various industrial applications.