Bromanil

C6Br4O2CAS 488-48-2423.68 g/mol

Open in Covalent MOL file
OBrBrOBrBr
AlkeneKetoneVinyl halide

Properties

Molecular formula
C6Br4O2
Molar mass
423.68 g/mol
Exact mass
419.6632 Da
Melting point
300 °C
logP
3.14Crippen 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
488-48-2
SMILES
O=C1C(Br)=C(Br)C(=O)C(Br)=C1Br
InChIKey
LWHDQPLUIFIFFT-UHFFFAOYSA-N
InChI
InChI=1S/C6Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

Weigh it out

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Names and synonyms

16 names · show all
  • 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrabromo-
  • p-Benzoquinone, 2,3,5,6-tetrabromo-
  • p-Benzoquinone, tetrabromo-
  • Quinone, tetrabromo-
  • 2,3,5,6-Tetrabromo-2,5-cyclohexadiene-1,4-dione
  • p-Bromanil
  • Tetrabromo-p-benzoquinone
  • Tetrabromoquinone
  • Tetrabromo-1,4-benzoquinone
  • 2,3,5,6-Tetrabromo-1,4-benzoquinone
  • 2,3,5,6-Tetrabromo-p-benzoquinone
  • Tetrabromo-p-quinone
  • Tetrabromobenzoquinone
  • p-Bromoanil
  • 3,4,5,6-Tetrabromocyclohexadiene-1,2-dione
  • NSC 36927

Work with Bromanil

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

Cyclohexanehexone527-31-145 % similar Dibromo-N-methylmaleimide3005-27-433 % similar 2,4,4,6-Tetrabromocyclohexa-2,5-dienone20244-61-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook