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CAS 1072944-71-8

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Methyl 4-bromo-1H-pyrazole-1-acetate

Description:
Methyl 4-bromo-1H-pyrazole-1-acetate is an organic compound characterized by its pyrazole ring, which is a five-membered heterocyclic structure 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 acetate group attached to the nitrogen enhances its solubility in organic solvents and may influence its biological activity. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to act as a building block in the synthesis of more complex molecules. Its molecular structure allows for various substitution reactions, making it a versatile intermediate in chemical synthesis. Additionally, the compound's properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity of the sample. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.
Formula:C6H7BrN2O2
InChI:InChI=1S/C6H7BrN2O2/c1-11-6(10)4-9-3-5(7)2-8-9/h2-3H,4H2,1H3
InChI key:InChIKey=YLIKWVCFKYAWBV-UHFFFAOYSA-N
SMILES:C(C(OC)=O)N1C=C(Br)C=N1
Synonyms:
  • Methyl 4-bromo-1H-pyrazole-1-acetate
  • 1H-Pyrazole-1-acetic acid, 4-bromo-, methyl ester
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