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CAS 101856-90-0

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2-DIFLUOROMETHOXYPHENYL ISOTHIOCYANATE

Description:
2-Difluoromethoxyphenyl isothiocyanate is an organic compound characterized by the presence of both isothiocyanate and difluoromethoxy functional groups. Its molecular structure features a phenyl ring substituted with a difluoromethoxy group and an isothiocyanate group, which contributes to its reactivity and potential applications in various chemical reactions. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its role in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to participate in nucleophilic reactions. The presence of the isothiocyanate group makes it a versatile intermediate for the synthesis of thioureas and other nitrogen-containing compounds. Additionally, the difluoromethoxy group can enhance the compound's lipophilicity and biological activity. As with many isothiocyanates, it may exhibit biological properties, including potential antimicrobial or anticancer activities, making it of interest in medicinal chemistry research. Proper handling and safety precautions are essential due to its reactive nature.
Formula:C8H5F2NOS
InChI:InChI=1/C8H5F2NOS/c9-8(10)12-7-4-2-1-3-6(7)11-5-13/h1-4,8H
SMILES:c1ccc(c(c1)N=C=S)OC(F)F
Synonyms:
  • Benzene, 1-(difluoromethoxy)-2-isothiocyanato- (9CI)
  • 1-(Difluoromethoxy)-2-Isothiocyanatobenzene
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