1,4-Dichloroanthraquinone

C₁₄H₆Cl₂O₂CAS 602-25-5277.10 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
logP: 3.77Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

602-25-5

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl

InChIKey

CAHGWVAXFJXDNI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1,4-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-Chloroanthraquinone82-44-077 % similar 1,4,5,8-Tetrachloro-9,10-anthracenedione81-58-370 % similar Anthraquinone84-65-157 % similar 1-Amino-5-chloroanthraquinone117-11-356 % similar Disperse violet 2881-42-555 % similar 2-Chlorobenzophenone5162-03-853 % similar Disperse violet 1128-95-052 % similar 1,4-Difluoroanthraquinone28736-42-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,8-Dichloroanthraquinone82-43-9 1,5-Dichloroanthraquinone82-46-2

Elsewhere

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