chempirical

Chloro-1,4-benzoquinone

C6H3ClO2CAS 695-99-8142.54 g/mol

Open in Covalent MOL file
OOCl
AlkeneKetoneVinyl halide

Properties

Molecular formula
C6H3ClO2
Molar mass
142.54 g/mol
Exact mass
141.9822 Da
Melting point
56–56.5 °C
logP
0.82Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
695-99-8
SMILES
O=C1C=CC(=O)C(Cl)=C1
InChIKey
WOGWYSWDBYCVDY-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3H

Weigh it out

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

Names and synonyms

12 names
  • 2,5-Cyclohexadiene-1,4-dione, 2-chloro-
  • p-Benzoquinone, 2-chloro-
  • p-Benzoquinone, chloro-
  • 2-Chloro-2,5-cyclohexadiene-1,4-dione
  • Monochloro-p-benzoquinone
  • 2-Chloro-p-benzoquinone
  • 2-Chloro-1,4-benzoquinone
  • Chloro-p-benzoquinone
  • Monochloroquinone
  • Chloroquinone
  • 2-Chloroquinone
  • NSC 526777

Reactions

Work with Chloro-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

2,5-Dichloro-1,4-benzoquinone615-93-055 % similar Methyl-1,4-benzoquinone553-97-948 % similar 2,6-Dichloro-1,4-benzoquinone697-91-648 % similar tert-Butyl-1,4-benzoquinone3602-55-943 % similar 2-Chloro-5-methyl-1,4-benzoquinone19832-87-241 % similar 1,4-Benzoquinone106-51-438 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook