2,3,5,6-Tetrabromo-1,4-benzenediol

C6H2Br4O2CAS 2641-89-6425.70 g/mol

Open in Covalent MOL file
HOBrBrOHBrBr
Aryl halidePhenol

Properties

Molecular formula
C6H2Br4O2
Molar mass
425.70 g/mol
Exact mass
421.6788 Da
Melting point
244 °C
logP
4.15Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 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
2641-89-6
SMILES
Oc1c(Br)c(Br)c(O)c(Br)c1Br
InChIKey
DTFQULSULHRJOA-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H

Weigh it out

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Names and synonyms

10 names
  • 1,4-Benzenediol, 2,3,5,6-tetrabromo-
  • Hydroquinone, tetrabromo-
  • Tetrabromohydroquinone
  • 2,3,5,6-Tetrabromohydroquinone
  • Tetrabromo-p-hydroquinone
  • Hydrobromanil
  • NSC 508878
  • Tetrabromo-1,4-hydroquinone
  • 2,3,5,6-Tetrabromo-1,4-hydroquinone
  • 1,4-Dihydroxy-2,3,5,6-tetrabromobenzene

Work with 2,3,5,6-Tetrabromo-1,4-benzenediol

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

Pentabromophenol608-71-992 % similar 2,3,5,6-Tetrabromo-4-methylphenol37721-75-865 % similar 3,4,5,6-Tetrabromo-o-cresol576-55-653 % similar 2,4,6-Tribromoresorcinol2437-49-247 % similar 2,3,6-Tribromo-4-methylphenol36776-51-942 % similar Benzenehexol608-80-042 % similar Hexabromobenzene87-82-142 % similar 2,6-Dibromophenol608-33-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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