CAS 5213-49-0

2,4-Dinitroimidazole

Description:

2,4-Dinitroimidazole is a chemical compound characterized by its imidazole ring substituted with two nitro groups at the 2 and 4 positions. It is a yellow crystalline solid that is known for its energetic properties, making it of interest in the field of explosives and propellants. The presence of nitro groups contributes to its high energy content and sensitivity to heat and shock. This compound is typically insoluble in water but may dissolve in organic solvents. Its molecular structure allows for various applications, particularly in the synthesis of other chemical compounds and as a potential intermediate in the production of energetic materials. Additionally, 2,4-Dinitroimidazole exhibits stability under certain conditions, but care must be taken due to its explosive nature when subjected to impact or friction. Overall, its unique properties make it a subject of study in both industrial and research settings, particularly in the development of new materials with specific energetic characteristics.

Formula: C₃H₂N₄O₄

InChI: InChI=1S/C3H2N4O4/c8-6(9)2-1-4-3(5-2)7(10)11/h1H,(H,4,5)

InChI key: InChIKey=FLDSOXFRYVOGFK-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1NC(N(=O)=O)=NC1

Synonyms:

• 1H-Imidazole, 2,5-dinitro-
• 1H-imidazole, 2,4-dinitro-
• 2,4(5)-Dinitroimidazole
• 2,4-Dinitro-3H-Imidazole
• 2,4-Dinitroimidazole
• 2,5-Dinitro-1H-imidazole
• 2,5-Dinitroimidazole
• Imidazole, 2,4(or 2,5)-dinitro-
• Imidazole, 2,4-dinitro-
• Imidazole, 2,5-dinitro-
• Ka 121
• NSC 342704

2,4-Dinitro-1H-imidazole

Controlled Product

CAS: 5213-49-0

Applications 2,4-Dinitro-1H-imidazole is a reagent that can be used to synthesize (S)-PA 824 (P122500), which is a novel anti-tuberculosis drug.
References Diacon, A.H. et al.: Antimicrob. Anents Chemother., 54, 3402 (2010); Dogra, M. et al.: Br. J. Pharmacol., 162, 226 (2010); Ginsberg, A.M. et al.: Antimicrob. Agents Chemother., 53, 3720 (2009);

Formula: C₃H₂N₄O₄

Color and Shape: Neat

Molecular weight: 158.07

Ref: TR-D479900