Benzocyclobutene

C8H8CAS 694-87-1104.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C8H8
Molar mass
104.15 g/mol
Exact mass
104.0626 Da
Boiling point
77 °C (at 70 Torr)
logP
1.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, P501

Identifiers

CAS number
694-87-1
SMILES
c1ccc2c(c1)CC2
InChIKey
UMIVXZPTRXBADB-UHFFFAOYSA-N
InChI
InChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

7 names
  • Bicyclo[4.2.0]octa-1,3,5-triene
  • Cardene
  • 1,2-Dihydrobenzocyclobutene
  • Benzocyclobutane
  • Cyclobutabenzene
  • Bicyclo[4.2.0]octa-2,4,6-triene
  • 1,2-Dihydrocyclobutabenzene

Work with Benzocyclobutene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetralin119-64-271 % similar Indane496-11-771 % similar 9,10-Dihydrophenanthrene776-35-267 % similar 2,3,4,5-Tetrahydro-1H-benzo(d)azepine4424-20-859 % similar Bicyclo(4.1.0)hepta-1,3,5-triene4646-69-957 % similar 9,10-Dihydroanthracene613-31-057 % similar 10,11-Dihydro-5H-dibenz[b,f]azepine494-19-956 % similar 1,2-Di(alpha-naphthyl)ethane15374-45-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Styrene100-42-5 Cyclooctatetraene629-20-9 Polystyrene9003-53-6

Elsewhere

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