chempirical

1,4-Dihydroxyanthraquinone

C14H8O4CAS 81-64-1240.21 g/mol

Open in Covalent MOL file
OOOHOH
KetonePhenol

Properties

Molecular formula
C14H8O4
Molar mass
240.21 g/mol
Exact mass
240.0423 Da
Density
1.52 g/mL
Melting point
196 °C
Flash point
222 °C
logP
1.87Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2,238 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
81-64-1
SMILES
O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21
InChIKey
GUEIZVNYDFNHJU-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H

Weigh it out

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

Names and synonyms

20 names · show all
  • 9,10-Anthracenedione, 1,4-dihydroxy-
  • Anthraquinone, 1,4-dihydroxy-
  • 1,4-Dihydroxy-9,10-anthracenedione
  • C.I. 58050
  • Chinizarin
  • Quinizarin
  • Quinizarine
  • Smoke orange R
  • 1,4-Dihydroxy-9,10-anthraquinone
  • NSC 15367
  • DAQ
  • Solvent orange 86
  • C.I. Solvent orange 86
  • Macrolex orange GG
  • C.I. Solvent orange 100
  • Solvent orange 100
  • Smoke orange 18
  • NSC 229036
  • NSC 40899
  • NSC 646569

Reactions

Work with 1,4-Dihydroxyanthraquinone

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

1-Amino-4-hydroxyanthraquinone116-85-876 % similar 1-Hydroxyanthraquinone129-43-174 % similar 1,4,5,8-Tetrahydroxy-9,10-anthracenedione81-60-770 % similar Purpurin anthraquinone81-54-969 % similar 1-Hydroxy-4-nitroanthraquinone81-65-265 % similar 2,2′-Dihydroxybenzophenone835-11-062 % similar Quinalizarin81-61-860 % similar Solvent violet 1381-48-158 % similar

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

Same formula

1,8-Dihydroxyanthraquinone117-10-2 Anthrarufin117-12-4 Alizarin72-48-0 2,6-Dihydroxyanthraquinone84-60-6

Elsewhere

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