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CAS 1354705-41-1

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1-(1,1-Dimethylethyl)-4-iodo-1H-pyrazole

Description:
1-(1,1-Dimethylethyl)-4-iodo-1H-pyrazole is an organic compound characterized by its pyrazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms. The presence of a 1,1-dimethylethyl group, also known as a tert-butyl group, at the 1-position contributes to its hydrophobic nature and steric bulk, influencing its reactivity and interactions. The 4-iodo substituent introduces a halogen, which can enhance the compound's reactivity in nucleophilic substitution reactions and may also affect its biological activity. This compound is typically used in research and development, particularly in the fields of medicinal chemistry and agrochemicals, due to its potential applications as a building block in the synthesis of more complex molecules. Its physical properties, such as solubility and melting point, would depend on the specific conditions and the presence of other functional groups in related compounds. Safety data should be consulted for handling and storage, as halogenated compounds can pose health risks.
Formula:C7H11IN2
InChI:InChI=1S/C7H11IN2/c1-7(2,3)10-5-6(8)4-9-10/h4-5H,1-3H3
InChI key:InChIKey=ZSBPKSWLKACLRO-UHFFFAOYSA-N
SMILES:C(C)(C)(C)N1C=C(I)C=N1
Synonyms:
  • 1-tert-Butyl-4-iodopyrazole
  • 1H-Pyrazole, 1-(1,1-dimethylethyl)-4-iodo-
  • 1-(1,1-Dimethylethyl)-4-iodo-1H-pyrazole
  • 1-tert-Butyl-4-iodo-1H-pyrazole
  • 1-(tert-Butyl)-4-iodo-1H-pyrazole
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