chempirical

2,6-Dichloro-1,4-benzoquinone

C6H2Cl2O2CAS 697-91-6176.98 g/mol

Open in Covalent MOL file
OClOCl
AlkeneKetoneVinyl halide

Properties

Molecular formula
C6H2Cl2O2
Molar mass
176.98 g/mol
Exact mass
175.9432 Da
Melting point
120–121 °C
logP
1.38Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
697-91-6
SMILES
O=C1C=C(Cl)C(=O)C(Cl)=C1
InChIKey
JCARTGJGWCGSSU-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

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, 2,6-dichloro-
  • p-Benzoquinone, 2,6-dichloro-
  • Quinone, 2,6-dichloro-
  • 2,6-Dichloro-2,5-cyclohexadiene-1,4-dione
  • 2,6-Dichloro-p-benzoquinone
  • 2,6-Dichlorobenzoquinone
  • 2,6-Dichloroquinone
  • NSC 6211

Work with 2,6-Dichloro-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

2,6-Dichloroquinone-4-chloroimide101-38-252 % similar 2,6-Dimethyl-1,4-benzoquinone527-61-742 % similar 2,6-Diisopropyl-1,4-benzoquinone1988-11-037 % similar 2,6-Dimethoxybenzoquinone530-55-237 % similar 2,6-Di-tert-butyl-1,4-benzoquinone719-22-237 % similar Phorone504-20-135 % similar 2,6-Dichloroindophenol sodium620-45-134 % similar Chloranil118-75-233 % similar

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

Same formula

2,5-Dichloro-1,4-benzoquinone615-93-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook