1-Bromo-2-nitrobenze-d4

• CAT Number: R002438
• CAS Number: 1020720-09-5
• Molecular Formula: C6H4BrNO2
• Molecular Weight: 206.031
• Purity: ≥95%
• Synonyms: 2-Bromonitrobenzene-d4; 2-Nitrobromobenzene-d4; 2-Nitrophenyl-d4 Bromide; NSC 403836-d4
• Storage: -20°C
• IUPAC Name: 1-bromo-2,3,4,5-tetradeuterio-6-nitrobenzene
• InChI: InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H/i1D,2D,3D,4D
• InChIKey: ORPVVAKYSXQCJI-RHQRLBAQSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])[N+](=O)[O-])Br)[2H])[2H]

1-Bromo-2-nitrobenzene-d4 is a deuterium-labeled version of 1-bromo-2-nitrobenzene, an aromatic compound used as a building block in organic synthesis. It is employed in the development of pharmaceuticals, agrochemicals, and materials. The deuterium labeling allows for precise analysis using mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, aiding in the study of reaction mechanisms and tracking of the compound in complex mixtures. This labeled compound is valuable for researchers investigating reaction pathways, developing new materials, or conducting studies on the behavior of nitro and bromo functional groups in organic chemistry.