Quinhydrone

C₁₂H₁₀O₄CAS 106-34-3218.21 g/mol

Open in Covalent MOL file

Alkene Ketone Phenol

Properties

Molecular formula: C₁₂H₁₀O₄
Molar mass: 218.21 g/mol
Exact mass: 218.0579 Da
Density: 1.4 g/mL (at 25 °C)
Melting point: 171 °C
logP: 1.35Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation95.8% of notifiers
H319 Causes serious eye irritation95.8% of notifiers
H335 May cause respiratory irritation91.7% of notifiers
H400 Very toxic to aquatic life16.7% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

106-34-3

SMILES

O=C1C=CC(=O)C=C1.Oc1ccc(O)cc1

InChIKey

BDJXVNRFAQSMAA-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H

Weigh it out

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

Names and synonyms

10 names

2,5-Cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol (1:1)
p-Benzoquinone, compd. with hydroquinone (1:1)
Benzoquinone, compd. with hydroquinone
Hydroquinone, compd. with p-benzoquinone (1:1)
1,4-Benzenediol, compd. with 2,5-cyclohexadiene-1,4-dione (1:1)
Green hydroquinone
p-Benzoquinone-hydroquinone compound (1:1)
p-Benzoquinhydrone
β-Quinhydrone
NSC 36325

Work with Quinhydrone

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

1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one3654-49-771 % similar Aurin603-45-269 % similar Indophenol500-85-667 % similar 1,4-Benzoquinone106-51-450 % similar Hydroquinone123-31-950 % similar 4,4′-Dihydroxybenzophenone611-99-450 % similar N-(4-Hydroxyphenyl)maleimide7300-91-650 % similar P-Coumaric acid501-98-448 % similar

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

Same formula

p-Phenylenediacrylic acid16323-43-6 3-Carbethoxycoumarin1846-76-0 8-Acetyl-7-hydroxy-4-methylcoumarin2555-29-5 4-Methylumbelliferyl acetate2747-05-9 5-(4-Methoxyphenyl)-2-furoic acid52938-99-5

Elsewhere

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