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CAS 23165-60-8

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Benzene, 1-isothiocyanato-4-methoxy-2-nitro-

Description:
Benzene, 1-isothiocyanato-4-methoxy-2-nitro- (CAS 23165-60-8) is an organic compound characterized by its aromatic benzene ring substituted with an isothiocyanate group, a methoxy group, and a nitro group. The presence of the isothiocyanate functional group (-N=C=S) indicates potential reactivity, particularly in nucleophilic addition reactions, making it useful in various synthetic applications. The methoxy group (-OCH3) contributes to the compound's electron-donating properties, which can influence its reactivity and solubility in organic solvents. The nitro group (-NO2) is an electron-withdrawing substituent that can enhance the electrophilic character of the benzene ring, affecting its reactivity towards electrophiles. This compound may exhibit biological activity, as isothiocyanates are known for their potential anticancer properties. Additionally, its unique combination of functional groups may impart specific physical properties, such as solubility and boiling point, which are important for its application in research and industry. Safety data should be consulted, as compounds with isothiocyanate and nitro groups can pose health risks.
Formula:C8H6N2O3S
InChI:InChI=1S/C8H6N2O3S/c1-13-6-2-3-7(9-5-14)8(4-6)10(11)12/h2-4H,1H3
InChI key:InChIKey=YVARXELMRLSEEG-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(N=C=S)C=CC(OC)=C1
Synonyms:
  • 1-Isothiocyanato-4-Methoxy-2-Nitrobenzene
  • 1-Isothiocyanato-4-methoxy-2-nitro-benzene
  • Benzene, 1-isothiocyanato-4-methoxy-2-nitro-
  • Isothiocyanic acid, 4-methoxy-2-nitrophenyl ester
  • 4-Methoxy-2-nitrophenyl isothiocyanate
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