chempirical

1-Bromo-6-chlorohexane

C6H12BrClCAS 6294-17-3199.52 g/mol

Open in Covalent MOL file
ClBr
Alkyl halide

Properties

Molecular formula
C6H12BrCl
Molar mass
199.52 g/mol
Exact mass
197.9811 Da
Boiling point
109–110 °C (at 2 Torr)
logP
3.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
6294-17-3
SMILES
ClCCCCCCBr
InChIKey
JTYUIAOHIYZBPB-UHFFFAOYSA-N
InChI
InChI=1S/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2

Weigh it out

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

Names and synonyms

5 names
  • Hexane, 1-bromo-6-chloro-
  • 6-Chlorohexyl bromide
  • 1-Chloro-6-bromohexane
  • 6-Bromohexyl chloride
  • NSC 9249

Work with 1-Bromo-6-chlorohexane

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

1-Bromo-5-chloropentane54512-75-3100 % similar 1-Bromo-4-chlorobutane6940-78-993 % similar 1,5-Dibromopentane111-24-060 % similar 1,11-Dibromoundecane16696-65-460 % similar 1,10-Dichlorodecane2162-98-360 % similar 1,8-Dichlorooctane2162-99-460 % similar 1,6-Dichlorohexane2163-00-060 % similar 1,12-Dibromododecane3344-70-560 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook