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CAS 5473-13-2

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Ethyl α,β-dicyanobenzenepropanoate

Description:
Ethyl α,β-dicyanobenzenepropanoate, with the CAS number 5473-13-2, is an organic compound characterized by its ester functional group and the presence of two cyano groups attached to a benzene ring. 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 relatively low solubility in water but is soluble in organic solvents such as ethanol and acetone. Ethyl α,β-dicyanobenzenepropanoate exhibits interesting chemical reactivity due to the presence of the cyano groups, which can participate in various nucleophilic addition reactions. Additionally, it may be used in synthetic organic chemistry as an intermediate in the production of more complex molecules. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Proper storage in a cool, dry place away from incompatible substances is recommended to maintain its stability and integrity.
Formula:C13H12N2O2
InChI:InChI=1S/C13H12N2O2/c1-2-17-13(16)12(9-15)11(8-14)10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3
InChI key:InChIKey=AJIQVNWYQUEXKT-UHFFFAOYSA-N
SMILES:C(C(C(OCC)=O)C#N)(C#N)C1=CC=CC=C1
Synonyms:
  • Benzenepropanoic acid, α,β-dicyano-, ethyl ester
  • Hydrocinnamic acid, α,β-dicyano-, ethyl ester
  • NSC 29656
  • Ethyl α,β-dicyanobenzenepropanoate
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