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CAS 1016-19-9

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3,4,5-trimethoxyphenyl isocyanate

Description:
3,4,5-Trimethoxyphenyl isocyanate is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a phenyl ring that is further substituted with three methoxy groups (-OCH3) at the 3, 4, and 5 positions. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its reactivity, particularly in forming urethanes and other derivatives through reactions with alcohols and amines. The methoxy groups contribute to its solubility in organic solvents and can influence its reactivity and stability. 3,4,5-Trimethoxyphenyl isocyanate is utilized in various chemical syntheses, including the development of pharmaceuticals and agrochemicals. Due to the presence of the isocyanate group, it is important to handle this compound with care, as isocyanates can be toxic and may cause respiratory irritation. Proper safety measures, including the use of personal protective equipment, are essential when working with this substance.
Formula:C10H11NO4
InChI:InChI=1/C10H11NO4/c1-13-8-4-7(11-6-12)5-9(14-2)10(8)15-3/h4-5H,1-3H3
SMILES:COc1cc(cc(c1OC)OC)N=C=O
Synonyms:
  • 5-Isocyanato-1,2,3-Trimethoxybenzene
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