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| | 5-Bromo-4-nitro-1H-imidazole Basic information |
| Product Name: | 5-Bromo-4-nitro-1H-imidazole | | Synonyms: | 5-bromo-4-nitroimidazole;4-Nitro-5-bromoimidazole;5(4)-Bromo-4(5)-nitroimidazole;NSC 54255;4-BroMo-5-nitroiMidazole;4-Bromo-6-methoxypyrimidine4-Bromo-5-nitro-1H-imidazole;1H-Imidazole, 5-bromo-4-nitro-;4-bromo-5-nitro-1H-imidazole - [B24950] | | CAS: | 6963-65-1 | | MF: | C3H2BrN3O2 | | MW: | 191.97 | | EINECS: | | | Product Categories: | Imidazol&Benzimidazole | | Mol File: | 6963-65-1.mol |  |
| | 5-Bromo-4-nitro-1H-imidazole Chemical Properties |
| Melting point | 281-282℃ (DEC.) | | Boiling point | 345 °C | | density | 2.156 | | storage temp. | Sealed in dry,Room Temperature | | pka | 5.60±0.10(Predicted) | | Appearance | White to off-white Solid | | InChI | InChI=1S/C3H2BrN3O2/c4-2-3(7(8)9)6-1-5-2/h1H,(H,5,6) | | InChIKey | KSEFBYAEHWXHLM-UHFFFAOYSA-N | | SMILES | C1NC(Br)=C([N+]([O-])=O)N=1 |
| | 5-Bromo-4-nitro-1H-imidazole Usage And Synthesis |
| Synthesis | Example 312A Synthesis of 5-bromo-4-nitro-1H-imidazole: 4-bromo-1H-imidazole (2.0 g, 13.6 mmol) was mixed with concentrated nitric acid (0.947 mL, 14.96 mmol) in concentrated sulfuric acid (20 mL), and reacted for 1 hr at 110°C. After completion of the reaction, the mixture was cooled to 25 °C and slowly poured into 200 mL of ice water. The precipitated white solid was collected by filtration to give 5-bromo-4-nitroimidazole (2.3 g, 87% yield). Mass spectrum (ESI-) m/z 191 ([M-H]-). 1H NMR (300 MHz, DMSO-d6) δ 7.99 (s, 1H). | | References | [1] Patent: US2004/162285, 2004, A1
[2] Patent: US2004/87577, 2004, A1. Location in patent: Page 122-123
[3] Journal of the American Chemical Society, 2001, vol. 123, # 49, p. 12147 - 12151 |
| | 5-Bromo-4-nitro-1H-imidazole Preparation Products And Raw materials |
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