CAS 1354706-47-0

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-sulfonyl chloride

Description:

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-sulfonyl chloride is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with a trifluoroethyl group and a sulfonyl chloride functional group. This compound is typically a white to off-white solid, and it is known for its reactivity due to the presence of the sulfonyl chloride moiety, which can participate in nucleophilic substitution reactions. The trifluoroethyl group imparts significant lipophilicity and can influence the compound's biological activity and solubility. It is often used in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to act as a sulfonylating agent. Safety precautions are necessary when handling this compound, as sulfonyl chlorides can be corrosive and may release toxic gases upon reaction with water or alcohols. Overall, its distinctive chemical properties make it a valuable intermediate in various synthetic applications.

Formula: C₅H₄ClF₃N₂O₂S

InChI: InChI=1S/C5H4ClF3N2O2S/c6-14(12,13)4-1-2-11(10-4)3-5(7,8)9/h1-2H,3H2

InChI key: InChIKey=LHEWERHADPJETO-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)N1N=C(S(Cl)(=O)=O)C=C1

Synonyms:

• 1H-Pyrazole-3-sulfonyl chloride, 1-(2,2,2-trifluoroethyl)-
• 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-sulfonyl chloride