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CAS 88398-82-7

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1H-Pyrazole-4-carboxylic acid, 5-(chlorosulfonyl)-1-methyl-, ethyl ester

Description:
1H-Pyrazole-4-carboxylic acid, 5-(chlorosulfonyl)-1-methyl-, ethyl ester, identified by CAS number 88398-82-7, is a chemical compound characterized by its pyrazole core structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a carboxylic acid functional group and an ethyl ester moiety, contributing to its reactivity and solubility properties. The presence of a chlorosulfonyl group enhances its electrophilic character, making it useful in various synthetic applications, particularly in the development of pharmaceuticals and agrochemicals. The compound is typically a solid at room temperature and may exhibit moderate to high polarity due to the functional groups present. Its synthesis and handling require careful consideration of safety protocols, especially due to the reactive chlorosulfonyl group, which can release toxic gases upon hydrolysis. Overall, this compound is of interest in organic synthesis and medicinal chemistry, where it may serve as an intermediate or a building block for more complex molecules.
Formula:C7H9ClN2O4S
InChI:InChI=1S/C7H9ClN2O4S/c1-3-14-7(11)5-4-9-10(2)6(5)15(8,12)13/h4H,3H2,1-2H3
InChI key:InChIKey=BXPQVOSHELHKSE-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(S(Cl)(=O)=O)N(C)N=C1
Synonyms:
  • 1H-Pyrazole-4-carboxylic acid, 5-(chlorosulfonyl)-1-methyl-, ethyl ester
  • Ethyl 5-(chlorosulfonyl)-1-methyl-1H-pyrazole-4-carboxylate
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