1,5-Dichloroanthraquinone

C14H6Cl2O2CAS 82-46-2277.10 g/mol

Open in Covalent MOL file
OClOCl
Aryl halideKetone

Properties

Molecular formula
C14H6Cl2O2
Molar mass
277.10 g/mol
Exact mass
275.9745 Da
Density
0.5–0.6 g/mL
Melting point
251 °C
logP
3.77Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
82-46-2
SMILES
O=C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21
InChIKey
MQIUMARJCOGCIM-UHFFFAOYSA-N
InChI
InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H

Weigh it out

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

Names and synonyms

5 names
  • 9,10-Anthracenedione, 1,5-dichloro-
  • Anthraquinone, 1,5-dichloro-
  • 1,5-Dichloro-9,10-anthracenedione
  • 1,5-Dichloro-9,10-anthraquinone
  • NSC 13969

Work with 1,5-Dichloroanthraquinone

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-Chloroanthraquinone82-44-088 % similar 1-Amino-5-chloroanthraquinone117-11-375 % similar 1,4,5,8-Tetrachloro-9,10-anthracenedione81-58-358 % similar 2,6-Dichlorobenzoic acid50-30-656 % similar 2-Chlorobenzophenone5162-03-855 % similar Anthrarufin117-12-454 % similar 1,5-Diaminoanthraquinone129-44-254 % similar 3-Chlorophthalic anhydride117-21-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dichloroanthraquinone602-25-5 1,8-Dichloroanthraquinone82-43-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook