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CAS 887625-18-5

:

Thiocyanic acid, 2-(2-fluorophenyl)-2-oxoethyl ester

Description:
Thiocyanic acid, 2-(2-fluorophenyl)-2-oxoethyl ester, identified by its CAS number 887625-18-5, is an organic compound characterized by the presence of a thiocyanate functional group (-SCN) and an ester moiety. This compound features a fluorophenyl group, which can influence its chemical reactivity and physical properties due to the electronegative fluorine atom. The ester linkage contributes to its potential as a reactive intermediate in organic synthesis. Typically, compounds of this nature may exhibit moderate to high polarity, affecting their solubility in various solvents. The presence of the thiocyanate group can impart unique reactivity, making it useful in various chemical reactions, including nucleophilic substitutions. Additionally, the compound may exhibit biological activity, which could be of interest in pharmaceutical research. However, specific safety and handling guidelines should be followed, as with all chemical substances, due to potential toxicity or reactivity. Overall, this compound represents a unique structure that may have applications in synthetic chemistry and medicinal chemistry.
Formula:C9H6FNOS
InChI:InChI=1S/C9H6FNOS/c10-8-4-2-1-3-7(8)9(12)5-13-6-11/h1-4H,5H2
InChI key:InChIKey=YVCOPJZRKBYVHU-UHFFFAOYSA-N
SMILES:C(CSC#N)(=O)C1=C(F)C=CC=C1
Synonyms:
  • 2-(Cyanosulfanyl)-1-(2-fluorophenyl)ethan-1-one
  • 2-(2-Fluorophenyl)-2-oxoethyl thiocyanate
  • Thiocyanic acid, 2-(2-fluorophenyl)-2-oxoethyl ester
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