Anthracene-9-carbaldehyde

C₁₅H₁₀OCAS 642-31-9206.24 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₁₅H₁₀O
Molar mass: 206.24 g/mol
Exact mass: 206.0732 Da
Melting point: 104 °C
logP: 3.81Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H315 Causes skin irritation71.4% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled28.6% of notifiers
H335 May cause respiratory irritation57.1% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

642-31-9

SMILES

O=Cc1c2ccccc2cc2ccccc12

InChIKey

YMNKUHIVVMFOFO-UHFFFAOYSA-N

InChI

InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H

Weigh it out

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

Names and synonyms

11 names

9-Anthracenecarboxaldehyde
9-Anthraldehyde
9-Anthrylaldehyde
9-Formylanthracene
9-Anthrylcarboxaldehyde
9-Anthracenecarbaldehyde
NSC 15
9-Anthracenemethanal
9-Anthracenaldehyde
9-Anthracenealdehyde
Antharacene-1-carboxaldehyde

Work with Anthracene-9-carbaldehyde

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-Anthracenedicarboxaldehyde7044-91-968 % similar 3-(9-Anthracenyl)-2-propenal38982-12-661 % similar 2-Hydroxy-1-naphthaldehyde708-06-559 % similar 9-Vinylanthracene2444-68-056 % similar 2-Methoxy-1-naphthaldehyde5392-12-152 % similar 9,9′-Bianthryl1055-23-850 % similar 1-Naphthalenecarboxaldehyde66-77-350 % similar 2,3-Naphthalenedicarboxaldehyde7149-49-750 % similar

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

Same formula

Dibenzo[a,d]cyclohepten-5-one2222-33-5 9-Phenanthrenecarboxaldehyde4707-71-5 Diphenylcyclopropenone886-38-4

Elsewhere

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