Indene

C₉H₈CAS 95-13-6116.16 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₉H₈
Molar mass: 116.16 g/mol
Exact mass: 116.0626 Da
Density: 0.9968 g/mL (at 20 °C)
Melting point: −1.8 °C
Boiling point: 181.6 °C
Flash point: 78.3 °C
Water solubility: miscible
logP: 2.26Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor99.2% of notifiers
H304 May be fatal if swallowed and enters airways54.8% of notifiers
H315 Causes skin irritation48.5% of notifiers
H319 Causes serious eye irritation35% of notifiers
H411 Toxic to aquatic life with long lasting effects47% of notifiers

Aggregated from 400 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

95-13-6

SMILES

C1=Cc2ccccc2C1

InChIKey

YBYIRNPNPLQARY-UHFFFAOYSA-N

InChI

InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2

Weigh it out

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

Names and synonyms

4 names

1H-Indene
Indonaphthene
Inden
NSC 9270

Work with Indene

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

Dialin447-53-060 % similar 1,4-Dihydronaphthalene612-17-957 % similar Bicyclo(4.1.0)hepta-1,3,5-triene4646-69-936 % similar 9,10-Dihydroanthracene613-31-036 % similar Benzocyclobutene694-87-136 % similar 2-Bromoindene10485-09-335 % similar 2-Methylindene2177-47-135 % similar 5,8-Dihydro-1-naphthol27673-48-935 % similar

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

Same formula

Methylphenylacetylene673-32-5 3-Methylphenylacetylene766-82-5 4-Methylphenylacetylene766-97-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia