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CAS 864068-95-1

:

1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride

Description:
1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride, with the CAS number 864068-95-1, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic heterocycle containing two nitrogen atoms. This compound features a carbonyl chloride functional group, indicating the presence of a carbonyl (C=O) directly bonded to a chlorine atom, which typically makes it reactive and useful in various synthetic applications. The methyl and phenyl substituents contribute to its unique properties, influencing its solubility and reactivity. Generally, compounds like this can be utilized in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, due to their ability to participate in nucleophilic substitution reactions. The presence of the carbonyl chloride group suggests that it can act as an acylating agent, allowing for further derivatization. Safety precautions should be taken when handling this compound, as carbonyl chlorides can be hazardous, releasing toxic gases upon hydrolysis.
Formula:C11H9ClN2O
InChI:InChI=1S/C11H9ClN2O/c1-14-10(11(12)15)7-9(13-14)8-5-3-2-4-6-8/h2-7H,1H3
InChI key:InChIKey=YTYWUDWSOXANNS-UHFFFAOYSA-N
SMILES:C(Cl)(=O)C1=CC(=NN1C)C2=CC=CC=C2
Synonyms:
  • 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride
  • 1H-Pyrazole-5-carbonyl chloride, 1-methyl-3-phenyl-
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