Cas no 21251-20-7 (2-Butynedial)

2-Butynedial (C?H?O?) is a highly reactive dialdehyde characterized by its conjugated alkyne and carbonyl functional groups. This compound is primarily utilized in organic synthesis as a versatile building block for heterocyclic compounds, pharmaceuticals, and specialty chemicals. Its rigid linear structure and electron-deficient nature make it valuable in cycloaddition reactions and as a precursor for complex molecular frameworks. 2-Butynedial’s reactivity allows for selective modifications, enabling the formation of diverse derivatives under controlled conditions. Handling requires caution due to its instability and potential polymerization tendencies. Proper storage under inert conditions is recommended to maintain purity and reactivity for synthetic applications.
2-Butynedial structure
2-Butynedial structure
Product Name:2-Butynedial
CAS No:21251-20-7
MF:C4H2O2
MW:82.0574812889099
CID:291279
PubChem ID:11603089
Update Time:2025-05-23

2-Butynedial Chemical and Physical Properties

Names and Identifiers

    • 2-Butynedial
    • but-2-ynedial
    • acetylenedicarbaldehyde
    • ACETYLENEDICARBOXALDEHYDE
    • AG-E-55819
    • AGN-PC-00CGUW
    • Butynedial
    • CTK1A7967
    • DTXSID80469318
    • EN300-7574413
    • 21251-20-7
    • Inchi: 1S/C4H2O2/c5-3-1-2-4-6/h3-4H
    • InChI Key: AZEBXWRLBFPUTO-UHFFFAOYSA-N
    • SMILES: O=CC#CC=O

Computed Properties

  • Exact Mass: 82.00546
  • Monoisotopic Mass: 82.005479302g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 100
  • 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: 0
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

2-Butynedial Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-7574413-0.05g
but-2-ynedial
21251-20-7 95%
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$732.0 2024-05-23
Enamine
EN300-7574413-0.1g
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0.1g
$767.0 2024-05-23
Enamine
EN300-7574413-0.25g
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0.25g
$801.0 2024-05-23
Enamine
EN300-7574413-0.5g
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21251-20-7 95%
0.5g
$836.0 2024-05-23
Enamine
EN300-7574413-1.0g
but-2-ynedial
21251-20-7 95%
1.0g
$871.0 2024-05-23
Enamine
EN300-7574413-2.5g
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2.5g
$1707.0 2024-05-23
Enamine
EN300-7574413-5.0g
but-2-ynedial
21251-20-7 95%
5.0g
$2525.0 2024-05-23
Enamine
EN300-7574413-10.0g
but-2-ynedial
21251-20-7 95%
10.0g
$3746.0 2024-05-23
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