1,8-Dichloroanthraquinone

C₁₄H₆Cl₂O₂CAS 82-43-9277.10 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₆Cl₂O₂
Molar mass: 277.10 g/mol
Exact mass: 275.9745 Da
Density: 1.62 g/mL
Melting point: 202 °C
logP: 3.77Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation18.2% of notifiers
H319 Causes serious eye irritation72.7% of notifiers
H335 May cause respiratory irritation18.2% of notifiers

Aggregated from 11 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

82-43-9

SMILES

O=C1c2cccc(Cl)c2C(=O)c2c(Cl)cccc21

InChIKey

VBQNYYXVDQUKIU-UHFFFAOYSA-N

InChI

InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H

Weigh it out

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

Names and synonyms

6 names

9,10-Anthracenedione, 1,8-dichloro-
Anthraquinone, 1,8-dichloro-
1,8-Dichloro-9,10-anthracenedione
1,8-Dichloro-9,10-anthraquinone
NSC 7209
1,8-Dichloro-9,10-dihydroanthracene-9,10-dione

Work with 1,8-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-Chloroanthraquinone82-44-084 % similar 1-Amino-5-chloroanthraquinone117-11-367 % similar 1,4,5,8-Tetrachloro-9,10-anthracenedione81-58-363 % similar 1,8-Dihydroxyanthraquinone117-10-255 % similar 2,6-Dichlorobenzoic acid50-30-654 % similar 2-Chlorobenzophenone5162-03-853 % similar 3-Chlorophthalic anhydride117-21-552 % similar 2-Chlorobenzoic acid118-91-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dichloroanthraquinone602-25-5 1,5-Dichloroanthraquinone82-46-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook