O-Chloranil

C6Cl4O2CAS 2435-53-2245.86 g/mol

Open in Covalent MOL file
OOClClClCl
AlkeneKetoneVinyl halide

Properties

Molecular formula
C6Cl4O2
Molar mass
245.86 g/mol
Exact mass
243.8652 Da
Melting point
131–132 °C
logP
2.52Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
2435-53-2
SMILES
O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl
InChIKey
VRGCYEIGVVTZCC-UHFFFAOYSA-N
InChI
InChI=1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9

Weigh it out

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Names and synonyms

15 names · show all
  • 3,5-Cyclohexadiene-1,2-dione, 3,4,5,6-tetrachloro-
  • o-Benzoquinone, 3,4,5,6-tetrachloro-
  • o-Benzoquinone, tetrachloro-
  • 3,4,5,6-Tetrachloro-3,5-cyclohexadiene-1,2-dione
  • Isochloranil
  • 3,4,5,6-Tetrachloro-1,2-benzoquinone
  • Tetrachloro-o-benzoquinone
  • Tetrachloro-1,2-benzoquinone
  • 3,4,5,6-Tetrachloro-o-benzoquinone
  • Tetrachloro-o-quinone
  • 3,4,5,6-Tetrachlorocyclohexadiene-1,2-dione
  • Tetrachloro-ortho-benzoquinone
  • Tetrachloroorthobenzoquinone
  • NSC 403503
  • 3,4,5,6-Tetrachlorobenzoquinone

Work with O-Chloranil

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

[3,6-Dichloro-4,5-di(hydroxy-κO)-3,5-cyclohexadiene-1,2-dionato(2-)]mercury33770-60-450 % similar 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone84-58-248 % similar Chloranilic acid87-88-747 % similar Barium chloranilate13435-46-643 % similar Cyclohexanehexone527-31-142 % similar Perchlorofulvalene6298-65-340 % similar Dichloromaleic anhydride1122-17-437 % similar 2,6-Dichloro-1,4-benzoquinone697-91-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chloranil118-75-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook