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CAS 63697-96-1

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4-ethynylbenzaldehyde

Description:
4-Ethynylbenzaldehyde, with the CAS number 63697-96-1, is an organic compound characterized by the presence of both an ethynyl group and an aldehyde functional group attached to a benzene ring. Its molecular structure features a phenyl ring substituted at the para position with an ethynyl group (–C≡C–) and an aldehyde group (–CHO). This compound is typically a colorless to pale yellow liquid with a distinct aromatic odor. It is known for its reactivity due to the presence of the aldehyde functional group, which can participate in various chemical reactions, including nucleophilic additions and condensation reactions. Additionally, the ethynyl group can engage in coupling reactions, making 4-ethynylbenzaldehyde a valuable intermediate in organic synthesis, particularly in the production of more complex aromatic compounds. The compound is soluble in organic solvents and may exhibit moderate toxicity, necessitating appropriate safety precautions during handling.
Formula:C9H6O
InChI:InChI=1/C9H6O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-7H
SMILES:C#Cc1ccc(cc1)C=O
Synonyms:
  • 4-Ethinylbenzaldehyd
  • Benzaldehyde, 4-Ethynyl-
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