Tetrahydroxy-1,4-benzoquinone

C6H4O6CAS 319-89-1172.09 g/mol

Open in Covalent MOL file
OHOOHOOHHO
AlkeneKetone

Properties

Molecular formula
C6H4O6
Molar mass
172.09 g/mol
Exact mass
172.0008 Da
Melting point
above 300 °C
logP
-0.21Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
319-89-1
SMILES
O=C1C(O)=C(O)C(=O)C(O)=C1O
InChIKey
DGQOCLATAPFASR-UHFFFAOYSA-N
InChI
InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H

Weigh it out

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

Names and synonyms

19 names · show all
  • 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-
  • p-Benzoquinone, 2,3,5,6-tetrahydroxy-
  • p-Benzoquinone, tetrahydroxy-
  • Quinone, tetrahydroxy-
  • 2,3,5,6-Tetrahydroxy-2,5-cyclohexadiene-1,4-dione
  • HPEK-1
  • Kelox
  • Tetrahydroxy-p-benzoquinone
  • Tetroquinone
  • Tetrahydroxyquinone
  • Tetrahydroxy-p-quinone
  • 2,3,5,6-Tetrahydroxy-p-benzoquinone
  • Tetrahydroxyparabenzoquinone
  • Terasin
  • THQ
  • 2,3,5,6-Tetrahydroxybenzoquinone
  • Tetrahydroxybenzoquinone
  • 2,3,5,6-Tetrahydroxy-1,4-benzoquinone
  • NSC 112931

Reactions

Work with Tetrahydroxy-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, sodium salt (1:2)1887-02-1Salt

Similar compounds

Chloranilic acid87-88-750 % similar Cyclohexanehexone527-31-145 % similar Oxalic acid144-62-733 % similar Alloxan50-71-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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