CAS 1306604-80-7

4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-propanenitrile

Description:

4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-propanenitrile is a chemical compound characterized by its unique structural features, including a pyrazole ring, a bromine atom, and a trifluoromethyl group. The presence of the bromine substituent enhances its reactivity, while the trifluoromethyl group contributes to its lipophilicity and potential biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its nitrile functional group indicates potential for further chemical transformations, making it a valuable intermediate in synthetic organic chemistry. The compound's molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or materials science, particularly due to the presence of the pyrazole moiety, which is known for its diverse biological activities. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, 4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-propanenitrile is a compound of interest for research and development in various chemical fields.

Formula: C₇H₅BrF₃N₃

InChI: InChI=1S/C7H5BrF3N3/c8-5-4-14(3-1-2-12)13-6(5)7(9,10)11/h4H,1,3H2

InChI key: InChIKey=JBILOXGHOAFQSS-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=NN(CCC#N)C=C1Br

Synonyms:

• 1H-Pyrazole-1-propanenitrile, 4-bromo-3-(trifluoromethyl)-
• 4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-propanenitrile