CAS 13369-77-2

1H-Pyrazole, 3,4,5-tribromo-1-(2-propen-1-yl)-

Description:

1H-Pyrazole, 3,4,5-tribromo-1-(2-propen-1-yl)-, with the CAS number 13369-77-2, is a halogenated organic compound characterized by the presence of a pyrazole ring substituted with three bromine atoms and a propenyl group. The pyrazole moiety contributes to its potential biological activity, as pyrazoles are known for their diverse pharmacological properties. The presence of multiple bromine substituents enhances the compound's reactivity and may influence its solubility and stability in various solvents. The propenyl group introduces unsaturation, which can participate in further chemical reactions, making the compound versatile in synthetic applications. Additionally, the bromine atoms can serve as leaving groups in nucleophilic substitution reactions. This compound may be of interest in medicinal chemistry and materials science due to its unique structural features and potential applications. However, safety and handling precautions should be observed due to the toxicity associated with brominated compounds.

Formula: C₆H₅Br₃N₂

InChI: InChI=1S/C6H5Br3N2/c1-2-3-11-6(9)4(7)5(8)10-11/h2H,1,3H2

InChI key: InChIKey=NITNUVUFMWIPFK-UHFFFAOYSA-N

SMILES: C(C=C)N1C(Br)=C(Br)C(Br)=N1

Synonyms:

• 3,4,5-Tribromo-1-(prop-2-en-1-yl)-1H-pyrazole
• 1H-Pyrazole, 3,4,5-tribromo-1-(2-propen-1-yl)-
• Pyrazole, 1-allyl-3,4,5-tribromo-
• 1-Allyl-3,4,5-tribromopyrazole