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CAS 70951-85-8

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4-Bromo-1-(1,1-dimethylethyl)-1H-pyrazole

Description:
4-Bromo-1-(1,1-dimethylethyl)-1H-pyrazole is an organic compound characterized by its pyrazole ring, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of a bromine atom at the 4-position of the pyrazole ring contributes to its reactivity and potential applications in various chemical reactions. The substituent at the 1-position, a tert-butyl group (1,1-dimethylethyl), imparts steric bulk, which can influence the compound's solubility and interaction with other molecules. This compound is typically used in research and development, particularly in the fields of pharmaceuticals and agrochemicals, due to its potential biological activity. Its molecular structure allows for various functionalization possibilities, making it a versatile intermediate in synthetic chemistry. Additionally, the compound's properties, such as melting point, boiling point, and solubility, can vary based on the solvent and conditions used, which are important for its practical applications. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C7H11BrN2
InChI:InChI=1S/C7H11BrN2/c1-7(2,3)10-5-6(8)4-9-10/h4-5H,1-3H3
InChI key:InChIKey=KLLXOOSSATXFFY-UHFFFAOYSA-N
SMILES:C(C)(C)(C)N1C=C(Br)C=N1
Synonyms:
  • 1H-Pyrazole, 4-bromo-1-(1,1-dimethylethyl)-
  • 1-tert-Butyl-4-Bromopyrazole
  • 4-Bromo-1-tert-butylpyrazole
  • 4-Bromo-1-(1,1-dimethylethyl)-1H-pyrazole
  • 4-Bromo-1-tert-butyl-1H-pyrazole
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