2-Chloro-1,4-naphthoquinone

C₁₀H₅ClO₂CAS 1010-60-2192.60 g/mol

Open in Covalent MOL file

Alkene Ketone Vinyl halide

Properties

Molecular formula: C₁₀H₅ClO₂
Molar mass: 192.60 g/mol
Exact mass: 191.9978 Da
Melting point: 109–114 °C
logP: 2.19Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H317 May cause an allergic skin reaction14.3% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation28.6% of notifiers
H412 Harmful to aquatic life with long lasting effects14.3% 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, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1010-60-2

SMILES

O=C1C=C(Cl)C(=O)c2ccccc21

InChIKey

CCTJHVLTAJTPBV-UHFFFAOYSA-N

InChI

InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H

Weigh it out

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

Names and synonyms

6 names

1,4-Naphthalenedione, 2-chloro-
1,4-Naphthoquinone, 2-chloro-
2-Chloro-1,4-naphthalenedione
2-Chloronaphthoquinone
NSC 400597
2-Chloro-1,4-dihydronaphthalene-1,4-dione

Work with 2-Chloro-1,4-naphthoquinone

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

Menadione58-27-558 % similar Lawsone83-72-758 % similar Dichlone117-80-650 % similar 1,4-Naphthoquinone130-15-448 % similar Quinoclamine2797-51-542 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-539 % similar Phenanthrenequinone84-11-739 % similar Phthaloyl chloride88-95-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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