CAS 1354705-20-6

4-Iodo-3-nitro-1H-pyrazole-1-acetonitrile

Description:

4-Iodo-3-nitro-1H-pyrazole-1-acetonitrile is a heterocyclic organic compound characterized by the presence of a pyrazole ring, which is a five-membered ring containing two nitrogen atoms. The compound features an iodine atom and a nitro group (-NO2) attached to the pyrazole ring, contributing to its reactivity and potential applications in various chemical reactions. The acetonitrile group (-C≡N) adds to its functionality, making it a valuable intermediate in organic synthesis. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its unique structure allows for potential applications in pharmaceuticals, agrochemicals, and materials science. The presence of the iodine and nitro groups can influence its electronic properties and reactivity, making it a subject of interest for further research in medicinal chemistry and synthetic applications. Safety precautions should be observed when handling this compound due to the potential hazards associated with its components.

Formula: C₅H₃IN₄O₂

InChI: InChI=1S/C5H3IN4O2/c6-4-3-9(2-1-7)8-5(4)10(11)12/h3H,2H2

InChI key: InChIKey=AMPAZQWAIDXHIT-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=NN(CC#N)C=C1I

Synonyms:

• 4-Iodo-3-nitro-1H-pyrazole-1-acetonitrile
• 1H-Pyrazole-1-acetonitrile, 4-iodo-3-nitro-