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CAS 102561-47-7

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4-(n-Butoxycarbonyl)phenyl isocyanate

Description:
4-(n-Butoxycarbonyl)phenyl 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 a butoxycarbonyl group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its specific form and purity. It is known for its reactivity, particularly in forming urethane linkages when reacting with alcohols or amines, making it valuable in the synthesis of polyurethanes and other polymeric materials. The presence of the butoxycarbonyl group enhances its solubility in organic solvents and can influence its reactivity and stability. Additionally, 4-(n-Butoxycarbonyl)phenyl isocyanate may exhibit moderate toxicity, necessitating appropriate safety precautions during handling and use. Its applications extend to the fields of organic synthesis, materials science, and potentially in pharmaceuticals, where it can serve as an intermediate in the development of various chemical products.
Formula:C12H13NO3
InChI:InChI=1/C12H13NO3/c1-2-3-8-16-12(15)10-4-6-11(7-5-10)13-9-14/h4-7H,2-3,8H2,1H3
SMILES:CCCCOC(=O)c1ccc(cc1)N=C=O
Synonyms:
  • n-Butyl 4-isocyanatobenzoate~4-(Carbobutoxy)phenyl isocyanate
  • Butyl 4-Isocyanatobenzoate
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