Benzeneacetonitrile-d5

• CAT Number: R041887
• CAS Number: 70026-36-7
• Molecular Formula: C8H7N
• Molecular Weight: 122.182
• Purity: ≥95%
• Synonyms: (Cyanomethyl)benzene-d5; 2-Phenylacetonitrile-d5; 2-Phenylethanenitrile-d5; Benzeneethanenitrile-d5; Benzyl-d5 Cyanide; Benzyl-d5 Nitrile; NSC 118418-d5; NSC 3407-d5; Phenacetonitrile-d5; Phenylacetonitrile-d5; α-Cyanotoluene-d5; α-Phenylacetonitrile
• Storage: -20°C
• IUPAC Name: 2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile
• InChI: InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2/i1D,2D,3D,4D,5D
• InChIKey: SUSQOBVLVYHIEX-RALIUCGRSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])CC#N)[2H])[2H]

Benzeneacetonitrile-d5 is a deuterated form of benzeneacetonitrile, with five deuterium atoms incorporated into its aromatic ring. This high-purity isotopically labeled compound is crucial for research in organic synthesis, analytical chemistry, and materials science. Benzeneacetonitrile-d5 is particularly valuable for studying reaction mechanisms, chemical kinetics, and the behavior of nitrile compounds under various conditions. The deuterium labeling allows for precise tracking and quantification in NMR spectroscopy and mass spectrometry, providing enhanced accuracy in complex chemical analyses. This compound is an essential tool for researchers focusing on the development of synthetic methods, the study of nitrile chemistry, and the investigation of aromatic compounds in both academic and industrial settings.