1-Bromo-4-nitrobenzene-d4

• CAT Number: R002439
• CAS Number: 350820-19-8
• Molecular Formula: C6H4BrNO2
• Molecular Weight: 206.031
• Purity: ≥95%
• Synonyms: 4-Bromonitrobenzene-d4; 4-Nitrobromobenzene-d4; 4-Nitrophenyl Bromide-d4; NSC 3526-d4
• Storage: -20°C
• IUPAC Name: 1-bromo-2,3,5,6-tetradeuterio-4-nitrobenzene
• InChI: InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1D,2D,3D,4D
• InChIKey: ZDFBKZUDCQQKAC-RHQRLBAQSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[N+](=O)[O-])[2H])[2H])Br)[2H]

1-Bromo-4-nitrobenzene-d4 is a deuterated form of 1-bromo-4-nitrobenzene, featuring four deuterium atoms incorporated into its aromatic ring. This high-purity isotopically labeled compound is essential for research in organic chemistry, particularly in the study of halogenated aromatic compounds, reaction mechanisms, and synthetic methodologies. 1-Bromo-4-nitrobenzene-d4 is particularly valuable for investigating the behavior of nitro and bromo substituents in electrophilic aromatic substitution reactions and other organic transformations. The deuterium labeling allows for precise tracking and quantification in NMR spectroscopy and mass spectrometry, enhancing the accuracy of analytical data. This compound is a critical tool for researchers involved in the synthesis of complex organic molecules, the development of new synthetic routes, and the study of halogenated aromatic compounds in various experimental applications.