chempirical

1,8-Dibromooctane

C8H16Br2CAS 4549-32-0272.02 g/mol

Open in Covalent MOL file
BrBr
Alkyl halide

Properties

Molecular formula
C8H16Br2
Molar mass
272.02 g/mol
Exact mass
269.9619 Da
Melting point
15.5 °C
Boiling point
271 °C
logP
4.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
4549-32-0
SMILES
BrCCCCCCCCBr
InChIKey
DKEGCUDAFWNSSO-UHFFFAOYSA-N
InChI
InChI=1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2

Weigh it out

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

Names and synonyms

4 names
  • NSC 9820
  • Octane, 1,8-dibromo-
  • Octamethylene dibromide
  • α,ω-Dibromooctane

Work with 1,8-Dibromooctane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5-Dibromopentane111-24-0100 % similar 1,11-Dibromoundecane16696-65-4100 % similar 1,12-Dibromododecane3344-70-5100 % similar 1,7-Dibromoheptane4549-31-9100 % similar 1,9-Dibromononane4549-33-1100 % similar 1,6-Dibromohexane629-03-8100 % similar 1,4-Dibromobutane110-52-189 % similar 1,3-Dibromopropane109-64-870 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia