chempirical

1,2,3,4,5,6-Hexabromocyclohexane

C6H6Br6CAS 1837-91-8557.54 g/mol

Open in Covalent MOL file
BrBrBrBrBrBr
Alkyl halide

Properties

Molecular formula
C6H6Br6
Molar mass
557.54 g/mol
Exact mass
551.5570 Da
Melting point
222 °C
logP
4.58Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1837-91-8
SMILES
BrC1C(Br)C(Br)C(Br)C(Br)C1Br
InChIKey
QFQZKISCBJKVHI-UHFFFAOYSA-N
InChI
InChI=1S/C6H6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexane, 1,2,3,4,5,6-hexabromo-
  • Benzene hexabromide
  • NSC 7908
  • BRD-K 06817181
  • BRD-K 06817181-001-02-3

Work with 1,2,3,4,5,6-Hexabromocyclohexane

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-Bromoadamantane7314-85-433 % similar Bromoform75-25-233 % similar Tetrabromoethane79-27-633 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook