CymitQuimica logo

CAS 5100-34-5

:

Propanoic acid, 3-isocyanato-, ethyl ester

Description:
Propanoic acid, 3-isocyanato-, ethyl ester, also known by its CAS number 5100-34-5, is an organic compound characterized by the presence of both an isocyanate and an ester functional group. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic ethyl ester component. The isocyanate group contributes to its reactivity, making it useful in various chemical synthesis processes, particularly in the production of polyurethanes and other polymers. Additionally, the compound may exhibit moderate toxicity and should be handled with care, as isocyanates can be irritants to the skin, eyes, and respiratory system. Its chemical structure allows for participation in nucleophilic addition reactions, making it a versatile intermediate in organic synthesis. Proper storage and handling protocols are essential to ensure safety and stability, given its reactive nature.
Formula:C6H9NO3
InChI:InChI=1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h2-4H2,1H3
InChI key:InChIKey=XBSGYVHOINMTIM-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)CN=C=O
Synonyms:
  • 3-Isocyanato-propionic acid ethyl ester
  • 3-Isocyanatopropanoic acid ethyl ester
  • Ethyl 3-Isocyanatopropanoate
  • Ethyl N-(oxomethylene)-beta-alaninate
  • Propanoic acid, 3-isocyanato-, ethyl ester
  • Propionic acid, 3-isocyanato-, ethyl ester
  • beta-alanine, N-carbonyl-, ethyl ester
  • ethyl N-(oxomethylidene)-beta-alaninate
  • Ethyl 3-isocyanatopropionate
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 4 products.