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CAS 175204-81-6

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4-Chloro-1-methyl-1H-pyrazole-3-carboxaldehyde

Description:
4-Chloro-1-methyl-1H-pyrazole-3-carboxaldehyde is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two adjacent nitrogen atoms. The presence of a chloro group at the 4-position and a carboxaldehyde functional group at the 3-position contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. This compound typically appears as a solid or liquid, depending on the specific conditions, and is known for its role as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its molecular structure allows for various chemical reactions, including nucleophilic additions and substitutions, making it a valuable building block in the development of more complex molecules. Additionally, the presence of the methyl group at the 1-position enhances its lipophilicity, which can influence its biological activity. Safety data should be consulted for handling and storage, as with many chemical substances, due to potential toxicity or reactivity.
Formula:C5H5ClN2O
InChI:InChI=1S/C5H5ClN2O/c1-8-2-4(6)5(3-9)7-8/h2-3H,1H3
InChI key:InChIKey=MLGDASSMRFJUMZ-UHFFFAOYSA-N
SMILES:C(=O)C=1C(Cl)=CN(C)N1
Synonyms:
  • 4-Chloro-1-methyl-1H-pyrazole-3-carboxaldehyde
  • 4-Chloro-1-methylpyrazole-3-carboxaldehyde
  • 1H-Pyrazole-3-carboxaldehyde, 4-chloro-1-methyl-
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