Indane

C9H10CAS 496-11-7118.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C9H10
Molar mass
118.18 g/mol
Exact mass
118.0783 Da
Density
0.9645 g/mL (at 20 °C)
Melting point
−51.4 °C
Boiling point
177.9 °C
Critical temperature
411.8 °C (684.9 K)ChemSep
Critical pressure
39.5 barChemSep
Acentric factor
0.309ChemSep
Enthalpy of formation (gas)
60.70 kJ/molChemSep
logP
2.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Health Hazard (GHS08)

Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
496-11-7
SMILES
c1ccc2c(c1)CCC2
InChIKey
PQNFLJBBNBOBRQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.16 (m, J = 7.7, 1.6 Hz, 2H), 7.13 (m, J = 7.7, 1.6 Hz, 2H), 2.91 (t, J = 7.0 Hz, 4H), 2.07 (quint, J = 7.0 Hz, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 143.5, 127.7, 125.5, 32.9, 25.4.
[M + H]+
[M + H]+ Calcd for C9H11 119.0855
[M + Na]+
[M + Na]+ Calcd for C9H10Na 141.0675
[M − H]−
[M − H]− Calcd for C9H9 117.0710
Elemental analysis
Anal. Calcd for C9H10: C, 91.47; H, 8.53.

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

Names and synonyms

9 names
  • 1H-Indene, 2,3-dihydro-
  • Indan
  • 2,3-Dihydro-1H-indene
  • 2,3-Dihydroindene
  • Hydrindene
  • 1,2-Hydrindene
  • Hydrindonaphthene
  • Benzocyclopentane
  • NSC 5292

Work with Indane

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

Tetralin119-64-286 % similar Benzocyclobutene694-87-171 % similar 2,3,4,5-Tetrahydro-1H-benzo(d)azepine4424-20-861 % similar Dipentylbenzene635-89-260 % similar 1,3-Diphenylpropane1081-75-056 % similar Tetrahydroisoquinoline91-21-452 % similar Bicyclo(4.1.0)hepta-1,3,5-triene4646-69-950 % similar 10,11-Dihydro-5H-dibenz[b,f]azepine494-19-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylstyrene100-80-1 Phenylpropene300-57-2 2-Methylstyrene611-15-4 4-Vinyltoluene622-97-9 β-Methylstyrene637-50-3 cis-beta-Methylstyrene766-90-5 Phenylcyclopropane873-49-4 trans-Propenylbenzene873-66-5

Elsewhere

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