CAS 131394-09-7

1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone

Description:

1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone, with the CAS number 131394-09-7, is a chemical compound characterized by its unique structure that includes a pyrazole ring substituted with two nitro groups and a ketone functional group. This compound typically exhibits properties associated with energetic materials, making it of interest in fields such as explosives and propellants. The presence of the dinitro substituents contributes to its potential as a high-energy compound, often leading to increased sensitivity and reactivity. In terms of physical properties, it may be a solid at room temperature, with solubility varying in different solvents. The compound's stability, handling precautions, and reactivity with other substances are critical considerations in its application and storage. As with many nitro-containing compounds, it may pose environmental and health risks, necessitating careful management in laboratory and industrial settings. Overall, its unique chemical structure and energetic characteristics make it a subject of interest in both research and practical applications.

Formula: C₆H₆N₄O₅

InChI: InChI=1S/C6H6N4O5/c1-4(11)2-8-3-5(9(12)13)6(7-8)10(14)15/h3H,2H2,1H3

InChI key: InChIKey=QPFQCQYRBRRLRK-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C(N(=O)=O)=NN(CC(C)=O)C1

Synonyms:

• 2-Propanone, 1-(3,4-dinitro-1H-pyrazol-1-yl)-
• 1-(3,4-Dinitro-1H-pyrazol-1-yl)-2-propanone
• 1-(3,4-Dinitropyrazol-1-yl)propan-2-one
• 1-(3,4-Dinitro-pyrazol-1-yl)-propan-2-one