1,3-Indandione
Properties
- Molecular formula
- C9H6O2
- Molar mass
- 146.14 g/mol
- Exact mass
- 146.0368 Da
- Melting point
- 131.5 °C (decomposes)
- Boiling point
- 112–115 °C (at NaN Torr)
- logP
- 1.46Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed40% of notifiers
- H315 Causes skin irritation80% of notifiers
- H319 Causes serious eye irritation80% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
606-23-5SMILES
O=C1CC(=O)c2ccccc21InChIKey
UHKAJLSKXBADFT-UHFFFAOYSA-NInChI
InChI=1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1H-Indene-1,3(2H)-dione
- Indandione
- 1,3-Diketohydrindene
- 1,3-Indanedione
- Indene-1,3(2H)-dione
- NSC 26329
- NSC 6312
- 1,3-Dioxobenzocyclopentane
- 2H-Indene-1,3-dione
Work with 1,3-Indandione
Similar compounds
Dibenzoylmethane120-46-759 % similar
3-(Dicyanomethylidene)indan-1-one1080-74-657 % similar
1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione1469-94-955 % similar
1-Indanone83-33-050 % similar
1,3-Di(2-pyridyl)-1,3-propanedione10198-89-748 % similar
Coumaranone7169-34-848 % similar
Anthraquinone84-65-148 % similar
1-Tetralone529-34-046 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds