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CAS 61226-20-8

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3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride

Description:
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride, with the CAS number 61226-20-8, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a carbonyl chloride functional group, making it a reactive acyl chloride derivative. The presence of two methyl groups at the 3 and 5 positions of the pyrazole ring and a phenyl group at the 1 position contributes to its unique chemical properties, including potential reactivity in nucleophilic substitution reactions. The carbonyl chloride group is particularly significant, as it can readily react with amines, alcohols, and other nucleophiles, facilitating the synthesis of various derivatives. This compound may be used in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. As with many acyl chlorides, it is likely to be sensitive to moisture and should be handled with care to avoid hydrolysis and the release of hydrochloric acid.
Formula:C12H11ClN2O
InChI:InChI=1S/C12H11ClN2O/c1-8-11(12(13)16)9(2)15(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChI key:InChIKey=ZXGKKAOCGAUUPH-UHFFFAOYSA-N
SMILES:CC=1N(N=C(C)C1C(Cl)=O)C2=CC=CC=C2
Synonyms:
  • 1H-pyrazole-4-carbonyl chloride, 3,5-dimethyl-1-phenyl-
  • 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
  • 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
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