chempirical

Vinylacetylene

C4H4CAS 689-97-452.08 g/mol

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AlkeneAlkyne

Properties

Molecular formula
C4H4
Molar mass
52.08 g/mol
Exact mass
52.0313 Da
Density
0.7095 g/mL (at 0 °C)
Melting point
203 °C
Boiling point
5.1 °C
logP
0.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Compressed Gas (GHS04)

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P222, P280, P377, P381, P403, P410+P403

Identifiers

CAS number
689-97-4
SMILES
C#CC=C
InChIKey
WFYPICNXBKQZGB-UHFFFAOYSA-N
InChI
InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2

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Names and synonyms

9 names
  • 1-Buten-3-yne
  • Ethene, ethynyl-
  • Monovinylacetylene
  • 1-Butyn-3-ene
  • 3-Buten-1-yne
  • Butenyne
  • 1-Butenyne
  • 3-Butyn-1-ene
  • Vinylethyne

Reactions

Work with Vinylacetylene

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

Acrylonitrile107-13-133 % similar Polyacrylonitrile25014-41-933 % similar Propynal624-67-933 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia