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CAS 220461-85-8

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4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride

Description:
4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]benzoyl chloride, with the CAS number 220461-85-8, is an organic compound characterized by its functional groups and structural features. It contains a benzoyl chloride moiety, which is known for its reactivity due to the presence of the acyl chloride functional group, making it a useful intermediate in organic synthesis. The trifluoromethyl group attached to the pyrazole ring enhances the compound's lipophilicity and can influence its biological activity. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions, although it can be sensitive to moisture due to the presence of the acyl chloride. Its synthesis and applications are often explored in medicinal chemistry and agrochemicals, where the unique properties imparted by the trifluoromethyl and pyrazole groups can lead to compounds with desirable pharmacological effects. Proper handling and storage are essential due to its potential reactivity and toxicity.
Formula:C11H6ClF3N2O
InChI:InChI=1/C11H6ClF3N2O/c12-10(18)7-1-3-8(4-2-7)17-6-5-9(16-17)11(13,14)15/h1-6H
SMILES:c1cc(ccc1C(=O)Cl)n1ccc(C(F)(F)F)n1
Synonyms:
  • 4-[3-(Trifluormethyl)-1H-pyrazol-1-yl]benzoyl chloride
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