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CAS 14512-86-8

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Thiocyanic acid, 4-amino-2-fluorophenyl ester

Description:
Thiocyanic acid, 4-amino-2-fluorophenyl ester, also known by its CAS number 14512-86-8, is an organic compound characterized by the presence of a thiocyanate functional group (-SCN) attached to a phenyl ring that is substituted with an amino group and a fluorine atom. This compound typically exhibits properties associated with both aromatic and thiocyanate functionalities, including potential reactivity in nucleophilic substitution reactions due to the presence of the thiocyanate group. The amino group can participate in hydrogen bonding, influencing its solubility and reactivity. The fluorine atom may impart unique electronic properties, affecting the compound's stability and interaction with other chemical species. Thiocyanic acid esters are often studied for their biological activity and potential applications in pharmaceuticals, agrochemicals, and materials science. As with many organic compounds, the specific physical properties such as melting point, boiling point, and solubility can vary based on the molecular structure and environmental conditions. Safety data should be consulted for handling and usage, as compounds with thiocyanate groups can pose health risks.
Formula:C7H5FN2S
InChI:InChI=1S/C7H5FN2S/c8-6-3-5(10)1-2-7(6)11-4-9/h1-3H,10H2
InChI key:InChIKey=OPLCEAFQQKDBMG-UHFFFAOYSA-N
SMILES:S(C#N)C1=C(F)C=C(N)C=C1
Synonyms:
  • Thiocyanic acid, 4-amino-2-fluorophenyl ester
  • 4-Amino-2-fluorophenyl thiocyanate
  • [(4-Amino-2-fluorophenyl)sulfanyl]formonitrile
  • 3-Fluoro-4-thiocyanatoaniline
  • 3-Fluoro-4-thiocyanoaniline
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