chempirical

1,6-Dichlorohexane

C6H12Cl2CAS 2163-00-0155.06 g/mol

Open in Covalent MOL file
ClCl
Alkyl halide

Properties

Molecular formula
C6H12Cl2
Molar mass
155.06 g/mol
Exact mass
154.0316 Da
Density
1.0677 g/mL (at 20 °C)
Boiling point
204 °C
logP
3.02Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
2163-00-0
SMILES
ClCCCCCCCl
InChIKey
OVISMSJCKCDOPU-UHFFFAOYSA-N
InChI
InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2

Weigh it out

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

Names and synonyms

2 names
  • Hexane, 1,6-dichloro-
  • NSC 60700

Work with 1,6-Dichlorohexane

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

1,10-Dichlorodecane2162-98-3100 % similar 1,8-Dichlorooctane2162-99-4100 % similar 1,5-Dichloropentane628-76-2100 % similar 1,4-Dichlorobutane110-56-589 % similar 1,3-Dichloropropane142-28-970 % similar 1-Chlorooctane111-85-360 % similar 1-Chlorododecane112-52-760 % similar 8-Chloro-1-octanol23144-52-760 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook