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CAS 33904-04-0

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3,4-Dimethoxyphenyl isothiocyanate

Description:
3,4-Dimethoxyphenyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a dimethoxy-substituted phenyl ring. Its molecular structure features two methoxy groups (-OCH3) located at the 3 and 4 positions of the phenyl ring, which influence its reactivity and solubility. This compound is typically a yellow to brownish liquid or solid, depending on its purity and form. It is known for its potential applications in organic synthesis and as a reagent in various chemical reactions, particularly in the formation of thioureas and other derivatives. The isothiocyanate group is notable for its biological activity, including potential anticancer properties, making it of interest in medicinal chemistry. Additionally, 3,4-Dimethoxyphenyl isothiocyanate may exhibit distinct physical properties such as boiling point and melting point, which are influenced by its molecular weight and structure. Safety precautions should be observed when handling this compound, as isothiocyanates can be irritants and may pose health risks.
Formula:C9H9NO2S
InChI:InChI=1/C9H9NO2S/c1-11-8-4-3-7(10-6-13)5-9(8)12-2/h3-5H,1-2H3
InChI key:InChIKey=LHPZZVZPOZPDDB-UHFFFAOYSA-N
SMILES:O(C)C1=C(OC)C=CC(N=C=S)=C1
Synonyms:
  • 3,4-Dimethoxyisothiocyanatobenzene
  • 4-Isothiocyanato-1,2-Dimethoxybenzene
  • Benzene, 4-isothiocyanato-1,2-dimethoxy-
  • 3,4-Dimethoxyphenyl isothiocyanate
  • ISOTHIOCYANIC ACID 3,4-DIMETHOXYPHENYL ESTER 96+%
  • ISOTHIOCYANIC ACID 3,4-DIMETHOXYPHENYL ESTER
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