chempirical

Phenanthrenequinone

C14H8O2CAS 84-11-7208.22 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C14H8O2
Molar mass
208.22 g/mol
Exact mass
208.0524 Da
Density
1.405 g/mL (at −6.7 °C)
Melting point
206–207 °C
Boiling point
360 °C
logP
2.73Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 152 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
84-11-7
SMILES
O=C1C(=O)c2ccccc2-c2ccccc21
InChIKey
YYVYAPXYZVYDHN-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

Weigh it out

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

Names and synonyms

6 names
  • 9,10-Phenanthrenedione
  • Phenanthraquinone
  • 9,10-Phenanthraquinone
  • 9,10-Phenanthrenequinone
  • NSC 10446
  • NSC 7389

Reactions

Work with Phenanthrenequinone

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

3-Bromophenanthrene-9,10-dione13292-05-263 % similar Fluorenone486-25-962 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-554 % similar Dichlone117-80-650 % similar 9-Methylene-fluorene4425-82-548 % similar Indigo blue482-89-346 % similar Thioindigo522-75-844 % similar 3,6-Dibromo-9,10-phenanthrenedione53348-05-344 % similar

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

Same formula

1,4-Anthraquinone635-12-1 Anthraquinone84-65-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia