2-Chloroanthraquinone

C₁₄H₇ClO₂CAS 131-09-9242.66 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₇ClO₂
Molar mass: 242.66 g/mol
Exact mass: 242.0135 Da
Melting point: 211 °C
logP: 3.12Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H311 Toxic in contact with skin15.4% of notifiers
H315 Causes skin irritation98.1% of notifiers
H319 Causes serious eye irritation82.7% of notifiers
H331 Toxic if inhaled15.4% of notifiers
H332 Harmful if inhaled15.4% of notifiers
H335 May cause respiratory irritation80.8% of notifiers
H400 Very toxic to aquatic life15.4% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

131-09-9

SMILES

O=C1c2ccccc2C(=O)c2cc(Cl)ccc21

InChIKey

FPKCTSIVDAWGFA-UHFFFAOYSA-N

InChI

InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H

Weigh it out

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

Names and synonyms

7 names

9,10-Anthracenedione, 2-chloro-
Anthraquinone, 2-chloro-
2-Chloro-9,10-anthracenedione
β-Chloroanthraquinone
2-Chloro-9,10-anthraquinone
NSC 1702
2-Chloro-9,10-dihydroanthracene-9,10-dione

Work with 2-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

2-Amino-2',5-dichlorobenzophenone2958-36-360 % similar 2-Amino-2',5'-dichlorobenzophenone21723-84-258 % similar Anthraquinone84-65-158 % similar 2-Amino-5-chloro-2′-fluorobenzophenone784-38-357 % similar 2,5-Dichlorobenzophenone16611-67-956 % similar 2,4-Dichlorobenzophenone19811-05-356 % similar 2-Aminoanthraquinone117-79-355 % similar 2-Bromoanthraquinone572-83-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloroanthraquinone82-44-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook