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CAS 1205-06-7

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Benzoic acid, 4-isothiocyanato-, ethyl ester

Description:
Benzoic acid, 4-isothiocyanato-, ethyl ester, with the CAS number 1205-06-7, is an organic compound characterized by the presence of both a benzoic acid moiety and an isothiocyanate functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and environmental conditions. It is known for its moderate solubility in organic solvents, while being less soluble in water due to its hydrophobic aromatic structure. The isothiocyanate group contributes to its reactivity, making it a useful intermediate in organic synthesis, particularly in the preparation of various biologically active compounds. Additionally, this compound may exhibit biological activity, including potential antimicrobial or anticancer properties, which are of interest in pharmaceutical research. Safety considerations should be taken into account, as isothiocyanates can be irritants and may pose health risks upon exposure. Proper handling and storage in a controlled environment are essential to ensure safety and stability.
Formula:C10H9NO2S
InChI:InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3
InChI key:InChIKey=MLOJHUCMCKBDLV-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC=C(N=C=S)C=C1
Synonyms:
  • 4-(Ethoxycarbonyl)phenyl isothiocyanate
  • 4-Carbethoxyphenyl isothiocyanate
  • 4-Isothiocyanatobenzoic acid ethyl ester
  • Benzoic acid, 4-isothiocyanato-, ethyl ester
  • Benzoic acid, p-isothiocyanato-, ethyl ester
  • Ethyl 4-isothiocyanatobenzoate
  • NSC 294821
  • p-Carbethoxyphenyl isothiocyanate
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