2,5-Cyclohexadiene-1,4-dione 1,4-bis(O-benzoyloxime)

C₂₀H₁₄N₂O₄CAS 120-52-5346.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₁₄N₂O₄
Molar mass: 346.34 g/mol
Exact mass: 346.0954 Da
logP: 3.54Crippen estimate
Polar surface area: 77.3 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 4

Hazards

Danger

H228 Flammable solid100% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P240, P241, 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, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

120-52-5

SMILES

O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c1ccccc1

InChIKey

WMVSVUVZSYRWIY-UHFFFAOYSA-N

InChI

InChI=1S/C20H14N2O4/c23-19(15-7-3-1-4-8-15)25-21-17-11-13-18(14-12-17)22-26-20(24)16-9-5-2-6-10-16/h1-14H

Weigh it out

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

Names and synonyms

17 names · show all

2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)
p-Benzoquinone, bis(O-benzoyloxime)
2,5-Cyclohexadiene-1,4-dione, bis(O-benzoyloxime)
Dibenzoyl-p-benzoquinone dioxime
p-Dibenzoylquinone dioxime
Dibenzoyl-p-quinone dioxime
Quinone dioxime dibenzoate
p-Benzoquinone dioxime dibenzoate
p-Quinone dioxime dibenzoate
Dibenzo G-M-F
Rhenocure BQ
1,4-Bis(benzoyloxyimino)cyclohexa-2,5-diene
Benzoquinone dioxime dibenzoate
Vulnoc DGM
Actor DQ
NSC 113483
O,O′-Dibenzoyl-p-quinone oxime

Work with 2,5-Cyclohexadiene-1,4-dione 1,4-bis(O-benzoyloxime)

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

Benzoic anhydride93-97-054 % similar Benzoyl peroxide94-36-054 % similar Vinyl benzoate769-78-848 % similar Methyl benzoate93-58-348 % similar Peroxybenzoic acid93-59-448 % similar Phenyl benzoate93-99-248 % similar Benzyl benzoate120-51-444 % similar Di-O-benzoyldiethylene glycol120-55-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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