CAS 1199773-68-6

1-(4-Bromophenyl)-1H-pyrazole-4-carbonitrile

Description:

1-(4-Bromophenyl)-1H-pyrazole-4-carbonitrile is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a bromophenyl group at one position of the pyrazole enhances its reactivity and potential applications in various chemical reactions. The carbonitrile functional group at the 4-position of the pyrazole contributes to its polarity and can participate in nucleophilic reactions. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure makes it of interest in medicinal chemistry and material science, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the bromine substituent can influence the compound's electronic properties and biological activity, making it a valuable target for further research. Safety data should be consulted for handling, as halogenated compounds can pose specific health and environmental risks.

Formula: C₁₀H₆BrN₃

InChI: InChI=1S/C10H6BrN3/c11-9-1-3-10(4-2-9)14-7-8(5-12)6-13-14/h1-4,6-7H

InChI key: InChIKey=VVBFQWQWTXGVBQ-UHFFFAOYSA-N

SMILES: C(#N)C1=CN(N=C1)C2=CC=C(Br)C=C2

Synonyms:

• 1-(4-Bromophenyl)-1H-pyrazole-4-carbonitrile
• 1H-Pyrazole-4-carbonitrile, 1-(4-bromophenyl)-