chempirical

1,2-Naphthoquinone

C10H6O2CAS 524-42-5158.16 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C10H6O2
Molar mass
158.16 g/mol
Exact mass
158.0368 Da
Density
1.45 g/mL (at 25 °C)
Melting point
7–145 °C (decomposes)
Water solubility
< 1 g/L (21.1 °C)
logP
1.47Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
524-42-5
SMILES
O=C1C=Cc2ccccc2C1=O
InChIKey
KETQAJRQOHHATG-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H

Weigh it out

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

Names and synonyms

6 names
  • 1,2-Naphthalenedione
  • β-Naphthoquinone
  • o-Naphthoquinone
  • NSC 9831
  • SID 8139964
  • 1,2-Dihydronaphthalene-1,2-dione

Reactions

Work with 1,2-Naphthoquinone

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

2-(2-Carboxyethenyl)benzoic acid612-40-846 % similar Phenanthrenequinone84-11-740 % similar Folin's reagent521-24-438 % similar Dichlone117-80-638 % similar 2-(Dicyanomethylene)-1,3-indandione16954-74-837 % similar 2-Formylcinnamic acid130036-17-837 % similar 2-Chlorocinnamoyl chloride35086-82-937 % similar o-Coumaric acid583-17-537 % similar

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

Same formula

1,4-Naphthoquinone130-15-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia