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CAS 173841-07-1

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Ethyl 3-chloro-1-methyl-1H-pyrazole-5-carboxylate

Description:
Ethyl 3-chloro-1-methyl-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a chloro substituent at the 3-position and an ethyl ester functional group at the 5-position, contributing to its reactivity and potential applications in organic synthesis. The presence of the methyl group at the 1-position enhances its lipophilicity, which can influence its biological activity. Ethyl 3-chloro-1-methyl-1H-pyrazole-5-carboxylate is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents, making it useful in various chemical reactions, including those in medicinal chemistry and agrochemical development. Safety data indicates that, like many chlorinated compounds, it should be handled with care due to potential toxicity and environmental impact. Proper storage and handling protocols are essential to mitigate risks associated with exposure.
Formula:C7H9ClN2O2
InChI:InChI=1S/C7H9ClN2O2/c1-3-12-7(11)5-4-6(8)9-10(5)2/h4H,3H2,1-2H3
InChI key:InChIKey=ZFAHXMHVTQJRLR-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1N(C)N=C(Cl)C1
Synonyms:
  • Ethyl 3-chloro-1-methyl-1H-pyrazole-5-carboxylate
  • 1H-Pyrazole-5-carboxylic acid, 3-chloro-1-methyl-, ethyl ester
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