chempirical

1-Chloroanthraquinone

C14H7ClO2CAS 82-44-0242.66 g/mol

Open in Covalent MOL file
OOCl
Aryl halideKetone

Properties

Molecular formula
C14H7ClO2
Molar mass
242.66 g/mol
Exact mass
242.0135 Da
Melting point
162 °C
logP
3.12Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
82-44-0
SMILES
O=C1c2ccccc2C(=O)c2c(Cl)cccc21
InChIKey
BOCJQSFSGAZAPQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H

Weigh it out

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

Names and synonyms

9 names
  • 9,10-Anthracenedione, 1-chloro-
  • Anthraquinone, 1-chloro-
  • 1-Chloro-9,10-anthracenedione
  • 1-Chloro-9,10-anthraquinone
  • α-Chloroanthraquinone
  • α-Monochloroanthraquinone
  • NSC 30428
  • NSC 5138
  • 1-Chloro-9,10-dihydroanthracene-9,10-dione

Reactions

Work with 1-Chloroanthraquinone

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

1,5-Dichloroanthraquinone82-46-288 % similar 1,8-Dichloroanthraquinone82-43-984 % similar 1-Amino-5-chloroanthraquinone117-11-368 % similar Anthraquinone84-65-158 % similar 1-Hydroxyanthraquinone129-43-158 % similar Dianthrimide82-22-458 % similar 1-Aminoanthraquinone82-45-158 % similar 2-Chlorobenzophenone5162-03-855 % similar

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

Same formula

2-Chloroanthraquinone131-09-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook