1-(2-Chloroethoxy)propane

C₅H₁₁ClOCAS 42149-74-6122.59 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₅H₁₁ClO
Molar mass: 122.59 g/mol
Exact mass: 122.0498 Da
Density: 0.9322 g/mL (at 20 °C)
Boiling point: 47.5 °C (at 40 Torr)
logP: 1.65Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vapor96.8% of notifiers
H301+H331 Toxic if swallowed or if inhaled90.3% of notifiers
H301 Toxic if swallowed93.5% of notifiers
H331 Toxic if inhaled93.5% of notifiers

Aggregated from 31 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P303+P361+P353, P304+P340, P316, P321, P330, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

42149-74-6

SMILES

CCCOCCCl

InChIKey

BHDSGQOSIWVMJW-UHFFFAOYSA-N

InChI

InChI=1S/C5H11ClO/c1-2-4-7-5-3-6/h2-5H2,1H3

Weigh it out

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

Names and synonyms

3 names

Propane, 1-(2-chloroethoxy)-
Ether, 2-chloroethyl propyl
2-Chloroethyl propyl ether

Work with 1-(2-Chloroethoxy)propane

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-(2-Chloroethoxy)butane10503-96-571 % similar Di-n-propyl ether111-43-365 % similar Bis(chloroethyl) ether111-44-465 % similar 1,2-Bis(2-chloroethoxy)ethane112-26-561 % similar 1-Chloro-2-ethoxyethane628-34-257 % similar Bis(2-chloroethoxy)methane111-91-150 % similar Glycol monopropyl ether2807-30-948 % similar 2-(Chloroethoxy)ethanol628-89-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2,2-dimethylpropanol13401-56-4 1-Chloro-4-methoxybutane17913-18-7 5-Chloro-1-pentanol5259-98-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook