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CAS 76393-16-3

:

ethyl 2-isocyanatobenzoate

Description:
Ethyl 2-isocyanatobenzoate, with the CAS number 76393-16-3, is an organic compound characterized by the presence of both an isocyanate functional group and an ester group. It features a benzoate structure, where the ethyl group is attached to the carbonyl carbon of the benzoate, and the isocyanate group is positioned at the 2-position of the aromatic ring. This compound is typically a colorless to pale yellow liquid with a distinctive odor. Ethyl 2-isocyanatobenzoate is known for its reactivity, particularly due to the isocyanate group, which can participate in nucleophilic addition reactions with amines, alcohols, and other nucleophiles. It is used in various applications, including the synthesis of pharmaceuticals, agrochemicals, and polymers. Safety precautions are essential when handling this compound, as isocyanates can be irritants and pose health risks upon exposure. Proper storage and handling procedures should be followed to mitigate any potential hazards associated with its use.
Formula:C10H9NO3
InChI:InChI=1/C10H9NO3/c1-2-14-10(13)8-5-3-4-6-9(8)11-7-12/h3-6H,2H2,1H3
SMILES:CCOC(=O)c1ccccc1N=C=O
Synonyms:
  • 2-(Ethoxycarbonyl)phenyl isocyanate
  • 2-Carboethoxyphenyl isocyanate~Ethyl 2-isocyanatobenzoate
  • 2-Isocyanatobenzoic acid ethyl ester
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