2,5-Dihydroxy-1,4-benzoquinone

C₆H₄O₄CAS 615-94-1140.09 g/mol

Open in Covalent MOL file

Alkene Ketone

Properties

Molecular formula: C₆H₄O₄
Molar mass: 140.09 g/mol
Exact mass: 140.0110 Da
Melting point: 169–170 °C
logP: 0.02Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed89.1% of notifiers
H312 Harmful in contact with skin89.1% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled89.1% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 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

615-94-1

SMILES

O=C1C=C(O)C(=O)C=C1O

InChIKey

QFSYADJLNBHAKO-UHFFFAOYSA-N

InChI

InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H

Weigh it out

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

Names and synonyms

8 names

2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-
p-Benzoquinone, 2,5-dihydroxy-
Quinone, 2,5-dihydroxy-
2,5-Dihydroxy-2,5-cyclohexadiene-1,4-dione
2,5-Dihydroxy-p-benzoquinone
2,5-Dihydroxycyclohexa-2,5-diene-1,4-dione
Anilic acid
NSC 3843

Work with 2,5-Dihydroxy-1,4-benzoquinone

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

Embelin550-24-333 % similar 2,5-Dichloro-1,4-benzoquinone615-93-033 % similar 2,5-Diphenyl-2,5-cyclohexadiene-1,4-dione844-51-931 % similar Maleic acid110-16-730 % similar Fumaric acid110-17-830 % similar Poly(maleic acid)26099-09-230 % similar

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

Same formula

5-Formyl-2-furancarboxylic acid13529-17-4 Coumalic acid500-05-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia