chempirical

Diacetylene

C4H2CAS 460-12-850.06 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C4H2
Molar mass
50.06 g/mol
Exact mass
50.0157 Da
Density
0.7364 g/mL (at 0 °C)
Melting point
−36.4 °C
Boiling point
10.3 °C
logP
0.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
460-12-8
SMILES
C#CC#C
InChIKey
LLCSWKVOHICRDD-UHFFFAOYSA-N
InChI
InChI=1S/C4H2/c1-3-4-2/h1-2H

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Names and synonyms

4 names
  • 1,3-Butadiyne
  • Butadiyne
  • Biacetylene
  • Biethynyl

Work with Diacetylene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyanoacetylene1070-71-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia