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CAS 6097-22-9

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Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester

Description:
Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester, with the CAS number 6097-22-9, is an organic compound characterized by the presence of a thiocyanate functional group and an ester linkage. This compound typically exhibits a yellowish color due to the nitrophenyl group, which can influence its reactivity and solubility. It is likely to be soluble in organic solvents, given the ester functionality, while its thiocyanate group may impart some polar characteristics. The presence of the nitro group suggests potential for electrophilic substitution reactions, making it a candidate for further chemical transformations. Additionally, thiocyanic acid derivatives often display biological activity, which may include antimicrobial or herbicidal properties. Safety considerations should be taken into account, as compounds containing thiocyanate can be toxic in certain concentrations. Overall, this compound's unique structure and functional groups make it of interest in both synthetic organic chemistry and potential applications in pharmaceuticals or agrochemicals.
Formula:C9H6N2O3S
InChI:InChI=1S/C9H6N2O3S/c10-6-15-5-9(12)7-2-1-3-8(4-7)11(13)14/h1-4H,5H2
InChI key:InChIKey=ABKJWLHODKUEJA-UHFFFAOYSA-N
SMILES:C(CSC#N)(=O)C1=CC(N(=O)=O)=CC=C1
Synonyms:
  • Thiocyanic acid, m-nitrophenacyl ester
  • 2-(3-Nitrophenyl)-2-oxoethyl thiocyanate
  • [2-(3-Nitrophenyl)-2-oxoethyl] thiocyanate
  • 1-(3-Nitrophenyl)-2-thiocyanatoethanone
  • Thiocyanic acid, 2-(3-nitrophenyl)-2-oxoethyl ester
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