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CAS 16024-82-1

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Benzoic acid, 2-isothiocyanato-, methyl ester

Description:
Benzoic acid, 2-isothiocyanato-, methyl ester, with the CAS number 16024-82-1, 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 reactivity, particularly due to the isothiocyanate group, which can participate in nucleophilic addition reactions and is often used in organic synthesis. The methyl ester group contributes to its solubility in organic solvents, making it useful in various chemical applications. Additionally, this compound may exhibit biological activity, including potential antimicrobial properties, which can be of interest in pharmaceutical and agricultural research. Safety data should be consulted, as isothiocyanates can be irritants and may pose health risks upon exposure. Overall, benzoic acid, 2-isothiocyanato-, methyl ester is a versatile compound with applications in synthetic chemistry and potential biological significance.
Formula:C9H7NO2S
InChI:InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3
InChI key:InChIKey=UNXVHBOJSCWVCD-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C(OC)=O)C=CC=C1
Synonyms:
  • Benzoic acid, 2-isothiocyanato-, methyl ester
  • Methyl 2-isothiocyanatobenzoate
  • Benzoic acid, o-isothiocyanato-, methyl ester
  • 2-(Methoxycarbonyl)phenyl isothiocyanate
  • 2-Isothiocyanato-benzoic acid methyl ester
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