Cas no 2229471-47-8 (2-(3-ethynylphenyl)acetaldehyde)

2-(3-Ethynylphenyl)acetaldehyde is a versatile aldehyde compound featuring an ethynylphenyl moiety, making it a valuable intermediate in organic synthesis. Its structure combines an aldehyde functional group with an ethynyl substituent, enabling applications in cross-coupling reactions, click chemistry, and the synthesis of complex heterocycles. The compound's reactivity allows for selective modifications, facilitating the construction of pharmaceuticals, agrochemicals, and advanced materials. Its stability under controlled conditions ensures reliable handling in laboratory settings. Researchers value this compound for its role in constructing conjugated systems and as a precursor for fine chemicals. Proper storage under inert conditions is recommended to maintain its integrity.
2-(3-ethynylphenyl)acetaldehyde structure
2229471-47-8 structure
Product Name:2-(3-ethynylphenyl)acetaldehyde
CAS No:2229471-47-8
MF:C10H8O
MW:144.169922828674
CID:6436940
PubChem ID:88200444
Update Time:2025-05-27

2-(3-ethynylphenyl)acetaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-(3-ethynylphenyl)acetaldehyde
    • EN300-1768955
    • SCHEMBL7776828
    • 2229471-47-8
    • Inchi: 1S/C10H8O/c1-2-9-4-3-5-10(8-9)6-7-11/h1,3-5,7-8H,6H2
    • InChI Key: CDPHWTYEDARLNC-UHFFFAOYSA-N
    • SMILES: O=CCC1C=CC=C(C#C)C=1

Computed Properties

  • Exact Mass: 144.057514874g/mol
  • Monoisotopic Mass: 144.057514874g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 175
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 17.1?2

2-(3-ethynylphenyl)acetaldehyde Pricemore >>

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