Benzotriazole-d4

• CAT Number: R006914
• CAS Number: 1185072-03-0
• Molecular Formula: C6H5N3
• Molecular Weight: 123.151
• Purity: ≥95%
• Synonyms: 1,2,3-1H-Benzotriazole-d4; 1,2,3-Triaza-1H-indene-d4; 1,2-Aminoazophenylene-d4; 1H-1,2,3-Benzotriazole-d4; 2,3-Diazaindole-d4; Azimidobenzene-d4; Aziminobenzene-d4; BLS 1326-d4; Benzisotriazole-d4; NSC 3058-d4; Rusmin R-d4; Seetec BT-d4
• Storage: -20°C
• IUPAC Name: 4,5,6,7-tetradeuterio-2H-benzotriazole
• InChI: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)/i1D,2D,3D,4D
• InChIKey: QRUDEWIWKLJBPS-RHQRLBAQSA-N
• SMILES: [2H]C1=C(C(=C2C(=C1[2H])NN=N2)[2H])[2H]

Benzotriazole-d4 is a deuterated form of benzotriazole, where four hydrogen atoms are replaced by deuterium. This compound is commonly used in NMR spectroscopy and mass spectrometry to study chemical reactions, reaction mechanisms, and kinetic isotope effects with enhanced precision. Benzotriazole is a versatile chemical used as a corrosion inhibitor, UV stabilizer, and ligand in coordination chemistry. The deuterium labeling in Benzotriazole-d4 aids in detailed analysis and tracking of its interactions and transformations in various chemical processes and applications, including materials science and environmental research.