CAS 5100-36-7
:ethyl 6-isocyanatohexanoate
Description:
Ethyl 6-isocyanatohexanoate, with the CAS number 5100-36-7, is an organic compound characterized by the presence of both an isocyanate functional group and an ester group. This compound typically appears as a colorless to pale yellow liquid and is known for its reactivity, particularly due to the isocyanate group, which can readily participate in nucleophilic addition reactions. Ethyl 6-isocyanatohexanoate is often used in the synthesis of various polymers and as an intermediate in organic synthesis. Its structure consists of a hexanoate chain, which contributes to its hydrophobic characteristics, while the ethyl group enhances its solubility in organic solvents. The compound is sensitive to moisture, which can lead to hydrolysis, forming corresponding amines and carbon dioxide. Safety precautions are essential when handling this substance, as isocyanates can be irritants and pose health risks upon exposure. Proper storage and handling protocols should be followed to mitigate any potential hazards associated with its use.
Formula:C9H15NO3
InChI:InChI=1/C9H15NO3/c1-2-13-9(12)6-4-3-5-7-10-8-11/h2-7H2,1H3
SMILES:CCOC(=O)CCCCCN=C=O
Synonyms:- Ethyl 6-isocyanatocaproate~6-Isocyanatohexanoic acid ethyl ester
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