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CAS 23163-84-0

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1-Ethoxy-2-isothiocyanatobenzene

Description:
1-Ethoxy-2-isothiocyanatobenzene, with the CAS number 23163-84-0, is an organic compound characterized by the presence of both an ethoxy group and an isothiocyanate functional group attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its reactivity, particularly due to the isothiocyanate moiety, which can participate in nucleophilic addition reactions and is often utilized in organic synthesis and medicinal chemistry. The ethoxy group contributes to the compound's solubility in organic solvents, while the isothiocyanate group can enhance biological activity, making it of interest in various chemical applications, including agrochemicals and pharmaceuticals. Safety considerations should be taken into account, as isothiocyanates can be irritants and may pose health risks upon exposure. Proper handling and storage in a well-ventilated area with appropriate personal protective equipment are recommended when working with this substance.
Formula:C9H9NOS
InChI:InChI=1S/C9H9NOS/c1-2-11-9-6-4-3-5-8(9)10-7-12/h3-6H,2H2,1H3
InChI key:InChIKey=MAHMRCJOZYLGOW-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(OCC)C=CC=C1
Synonyms:
  • 1-Ethoxy-2-Isothiocyanatobenzene
  • Benzene, 1-ethoxy-2-isothiocyanato-
  • Isothiocyanic acid, o-ethoxyphenyl ester
  • o-Ethoxyphenyl isothiocyanate
  • 2-Ethoxyphenyl isothiocyanate
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