chempirical

Chloranilic acid

C6H2Cl2O4CAS 87-88-7208.98 g/mol

Open in Covalent MOL file
OHOClOOHCl
AlkeneKetoneVinyl halide

Properties

Molecular formula
C6H2Cl2O4
Molar mass
208.98 g/mol
Exact mass
207.9330 Da
Density
1.96 g/mL
Melting point
283.5 °C
logP
1.16Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 55 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
87-88-7
SMILES
O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl
InChIKey
IPPWILKGXFOXHO-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H

Weigh it out

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

Names and synonyms

14 names · show all
  • 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-
  • p-Benzoquinone, 2,5-dichloro-3,6-dihydroxy-
  • Quinone, 2,5-dichloro-3,6-dihydroxy-
  • 2,5-Dichloro-3,6-dihydroxy-2,5-cyclohexadiene-1,4-dione
  • 2,5-Dichloro-3,6-dihydroxy-p-benzoquinone
  • 2,5-Dichloro-3,6-dihydroxy-1,4-quinone
  • 2,5-Dihydroxy-3,6-dichloro-1,4-benzoquinone
  • 2,5-Dihydroxy-3,6-dichlorobenzoquinone
  • 3,6-Dichloro-2,5-dihydroxy-1,4-benzoquinone
  • 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone
  • p-Chloranilic acid
  • NSC 6108
  • NSC 97383
  • 3,6-Dichloro-2,5-dihydroxybenzoquinone

Work with Chloranilic acid

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.

Barium chloranilate13435-46-6Salt

Similar compounds

Chloranil118-75-250 % similar Tetrahydroxy-1,4-benzoquinone319-89-150 % similar O-Chloranil2435-53-247 % similar [3,6-Dichloro-4,5-di(hydroxy-κO)-3,5-cyclohexadiene-1,2-dionato(2-)]mercury33770-60-436 % similar 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, sodium salt (1:2)1887-02-135 % similar 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone84-58-235 % similar Cyclohexanehexone527-31-131 % similar Mucochloric acid87-56-931 % similar

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

Elsewhere

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