chempirical

1-Chloro-4-methoxybutane

C5H11ClOCAS 17913-18-7122.59 g/mol

Open in Covalent MOL file
OCl
Alkyl halideEther

Properties

Molecular formula
C5H11ClO
Molar mass
122.59 g/mol
Exact mass
122.0498 Da
Density
0.9875 g/mL (at 20 °C)
Boiling point
142.5–142.8 °C
logP
1.65Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
17913-18-7
SMILES
COCCCCCl
InChIKey
DFLRARJQZRCCKN-UHFFFAOYSA-N
InChI
InChI=1S/C5H11ClO/c1-7-5-3-2-4-6/h2-5H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Butane, 1-chloro-4-methoxy-
  • Ether, 4-chlorobutyl methyl
  • 4-Chlorobutyl methyl ether
  • 4-Methoxy-1-chlorobutane
  • δ-Chlorobutyl methyl ether
  • 4-Methoxybutyl chloride
  • Methyl 4-chlorobutyl ether
  • NSC 83550

Work with 1-Chloro-4-methoxybutane

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-Chloro-3-methoxypropane36215-07-383 % similar 2-Chloroethyl methyl ether627-42-963 % similar 4-Methoxy-1-butanol111-32-048 % similar Hexyl methyl ether4747-07-348 % similar Dipropylene glycol dimethyl ether111109-77-448 % similar 1,4-Dichlorobutane110-56-547 % similar Butyl methyl ether628-28-445 % similar Dimethoxyethane110-71-444 % similar

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

Same formula

3-Chloro-2,2-dimethylpropanol13401-56-4 1-(2-Chloroethoxy)propane42149-74-6 5-Chloro-1-pentanol5259-98-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook