chempirical

1-Chlorohexane

C6H13ClCAS 544-10-5120.62 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C6H13Cl
Molar mass
120.62 g/mol
Exact mass
120.0706 Da
Density
0.8759 g/mL (at 20 °C)
Melting point
−94 °C
Boiling point
135 °C
logP
2.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
544-10-5
SMILES
CCCCCCCl
InChIKey
MLRVZFYXUZQSRU-UHFFFAOYSA-N
InChI
InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Hexane, 1-chloro-
  • Hexyl chloride
  • n-Hexyl chloride
  • 1-Hexyl chloride

Work with 1-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chlorodecane1002-69-3100 % similar 1-Chlorooctane111-85-3100 % similar 1-Chlorododecane112-52-7100 % similar 1-Chlorotetradecane2425-54-9100 % similar 1-Chlorononane2473-01-0100 % similar 1-Chlorooctadecane3386-33-2100 % similar 1-Chlorohexadecane4860-03-1100 % similar 1-Chloroheptane629-06-1100 % similar

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

Same formula

1-Chloro-3,3-dimethylbutane2855-08-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook