9-Chloroanthracene

C₁₄H₉ClCAS 716-53-0212.68 g/mol

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Properties

Molecular formula: C₁₄H₉Cl
Molar mass: 212.68 g/mol
Exact mass: 212.0393 Da
Melting point: 51–51.5 °C
logP: 4.65Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation11.4% of notifiers
H319 Causes serious eye irritation11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

716-53-0

SMILES

Clc1c2ccccc2cc2ccccc12

InChIKey

KULLJOPUZUWTMF-UHFFFAOYSA-N

InChI

InChI=1S/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

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

Names and synonyms

2 names

Anthracene, 9-chloro-
10-Chloroanthracene

Reactions

9-CHLOROANTHRACENE (Anthracene, 9-chloro-)product

Work with 9-Chloroanthracene

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

9,10-Dichloroanthracene605-48-163 % similar 9,9′-Bianthryl1055-23-857 % similar 1,2,3,4-Tetrachloronaphthalene20020-02-452 % similar 1-Chloronaphthalene90-13-152 % similar 9-Bromoanthracene1564-64-350 % similar 9-(Chloromethyl)anthracene24463-19-250 % similar Benz(A)anthracene56-55-350 % similar 9-Methylanthracene779-02-250 % similar

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

Same formula

2-Chloroanthracene17135-78-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook