Anthracene-9-carbonyl chloride

C₁₅H₉ClOCAS 16331-52-5240.69 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₁₅H₉ClO
Molar mass: 240.69 g/mol
Exact mass: 240.0342 Da
logP: 4.37Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

16331-52-5

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)Cl

InChIKey

REJFOBQJXSGDSB-UHFFFAOYSA-N

InChI

InChI=1S/C15H9ClO/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

Weigh it out

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

Names and synonyms

1 names

9-Anthracenecarbonyl chloride

Work with Anthracene-9-carbonyl chloride

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-Anthracenecarboxylic acid723-62-655 % similar 9-Acetylanthracene784-04-355 % similar 1-Naphthoyl chloride879-18-555 % similar 2,6-Dichlorobenzoyl chloride4659-45-452 % similar 2-Ethoxy-1-naphthalenecarbonyl chloride55150-29-351 % similar 2-Naphthoyl chloride2243-83-650 % similar 2-Benzofurancarbonyl chloride41717-28-647 % similar Phthaloyl chloride88-95-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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