Butadiene

C4H6CAS 106-99-054.09 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C4H6
Molar mass
54.09 g/mol
Exact mass
54.0470 Da
Density
0.6149 g/mL (at 25 °C)
Melting point
−108.966 °C
Boiling point
−4.5 °C
Flash point
-76 °C (closed cup)
Water solubility
735 mg/L (20 °C)
logP
1.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Compressed Gas (GHS04)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 601-013-00-X), via PubChem.

Precautionary statements

P203, P210, P222, P280, P318, P377, P381, P403, P405, P501

Identifiers

CAS number
106-99-0
SMILES
C=CC=C
InChIKey
KAKZBPTYRLMSJV-UHFFFAOYSA-N
InChI
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • 1,3-Butadiene
  • Biethylene
  • Bivinyl
  • α,γ-Butadiene
  • Divinyl
  • Erythrene
  • Vinylethylene
  • Butadiene-1,3

Reactions

Work with Butadiene

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

1,3,5-Hexatriene2235-12-356 % similar Acrolein107-02-842 % similar trans-1,3-Pentadiene2004-70-838 % similar Piperylene504-60-938 % similar Styrene-butadiene9003-55-833 % similar 4-Methyl-1,3-pentadiene926-56-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Butyne107-00-6 Bicyclobutane157-33-5 1-Methylcyclopropene3100-04-7 2-Butyne503-17-3 1,2-Butadiene590-19-2 Cyclobutene822-35-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia