Benz[a]anthracene-7,12-dione

C18H10O2CAS 2498-66-0258.28 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C18H10O2
Molar mass
258.28 g/mol
Exact mass
258.0681 Da
Density
1.4 g/mL
Melting point
169–171 °C
Boiling point
135–155 °C (at 1 Torr)
logP
3.62Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2498-66-0
SMILES
O=C1c2ccccc2C(=O)c2c1ccc1ccccc21
InChIKey
LHMRXAIRPKSGDE-UHFFFAOYSA-N
InChI
InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H

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Names and synonyms

13 names · show all
  • C.I. 59000
  • 1,2-Benzanthraquinone
  • 1,2-Benzoanthraquinone
  • Sirius yellow G
  • Benzanthracene-7,12-dione
  • Benz[a]anthra-7,12-quinone
  • Benzanthraquinone
  • Benz[a]anthracene-7,12-quinone
  • 1,2-Benzo-9,10-anthraquinone
  • NSC 7961
  • Benzo[a]anthracene-7,12-dione
  • Tetraphene-7,12-dione
  • Benz(a)anthracene-7,12-dione

Work with Benz[a]anthracene-7,12-dione

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

Anthraquinone84-65-154 % similar 1-Chloroanthraquinone82-44-052 % similar 1,2-Naphthalenedicarboxylic anhydride5343-99-751 % similar 1-Hydroxyanthraquinone129-43-150 % similar 1,2-Diaminoanthraquinone1758-68-550 % similar 1-Benzoylnaphthalene642-29-550 % similar Alizarin72-48-050 % similar Dianthrimide82-22-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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