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CAS 3774-54-7

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Thiocyanic acid, 4-hydroxy-2-methylphenyl ester

Description:
Thiocyanic acid, 4-hydroxy-2-methylphenyl ester, also known by its CAS number 3774-54-7, is an organic compound characterized by the presence of a thiocyanate functional group (-SCN) attached to a phenolic structure. This compound features a hydroxyl group (-OH) and a methyl group (-CH3) on the aromatic ring, which contribute to its chemical reactivity and potential biological activity. It is typically a colorless to pale yellow liquid or solid, depending on its purity and form. The presence of the thiocyanate group imparts unique properties, such as the ability to participate in nucleophilic substitution reactions. Additionally, the phenolic hydroxyl group can engage in hydrogen bonding, influencing its solubility and interaction with other molecules. Thiocyanic acid esters are often studied for their potential applications in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. However, safety and handling precautions are essential due to the potential toxicity associated with thiocyanate compounds.
Formula:C8H7NOS
InChI:InChI=1S/C8H7NOS/c1-6-4-7(10)2-3-8(6)11-5-9/h2-4,10H,1H3
InChI key:InChIKey=AKBUQNBHFALNTI-UHFFFAOYSA-N
SMILES:S(C#N)C1=C(C)C=C(O)C=C1
Synonyms:
  • Thiocyanic acid, 4-hydroxy-o-tolyl ester
  • Thiocyanic acid, 4-hydroxy-2-methylphenyl ester
  • 2-Methyl-4-hydroxyphenyl thiocyanate
  • m-Cresol, 4-thiocyanato-
  • 4-Thiocyano-m-cresol
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