| Identification | Back Directory | [Name]
5-BROMO-4-NITRO-1H-IMIDAZOLE | [CAS]
6963-65-1 | [Synonyms]
NSC 54255
4-BroMo-5-nitroiMidazole
5-bromo-4-nitroimidazole
4-Nitro-5-bromoimidazole
5(4)-Bromo-4(5)-nitroimidazole
1H-Imidazole, 5-bromo-4-nitro-
4-Bromo-6-methoxypyrimidine4-Bromo-5-nitro-1H-imidazole | [Molecular Formula]
C3H2BrN3O2 | [MDL Number]
MFCD00033542 | [MOL File]
6963-65-1.mol | [Molecular Weight]
191.97 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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