CAS 78425-13-5

1-[[3-(Bromomethyl)phenyl]methyl]-1H-pyrazole

Description:

1-[[3-(Bromomethyl)phenyl]methyl]-1H-pyrazole, identified by its CAS number 78425-13-5, is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a bromomethyl group attached to a phenyl ring, contributing to its reactivity and potential applications in various chemical reactions. The presence of the bromine atom enhances its electrophilic character, making it suitable for nucleophilic substitution reactions. Additionally, the pyrazole moiety is known for its biological activity, often serving as a scaffold in medicinal chemistry. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its structural features suggest potential uses in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks. Overall, this compound represents a versatile building block in synthetic organic chemistry.

Formula: C₁₁H₁₁BrN₂

InChI: InChI=1S/C11H11BrN2/c12-8-10-3-1-4-11(7-10)9-14-6-2-5-13-14/h1-7H,8-9H2

InChI key: InChIKey=KUQYFWCHNMENHK-UHFFFAOYSA-N

SMILES: C(C1=CC(CBr)=CC=C1)N2C=CC=N2

Synonyms:

• 1H-Pyrazole, 1-[[3-(bromomethyl)phenyl]methyl]-
• 1-[[3-(Bromomethyl)phenyl]methyl]-1H-pyrazole