1-Chloro-3-methoxypropane

C₄H₉ClOCAS 36215-07-3108.57 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₄H₉ClO
Molar mass: 108.57 g/mol
Exact mass: 108.0342 Da
Density: 1.0009 g/mL (at 20 °C)
Melting point: 110–112 °C
Boiling point: 111 °C
logP: 1.26Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H225 Highly Flammable liquid and vapor60% of notifiers
H226 Flammable liquid and vapor40% of notifiers
H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation60% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

36215-07-3

SMILES

COCCCCl

InChIKey

BQLHMMQUVJCTAN-UHFFFAOYSA-N

InChI

InChI=1S/C4H9ClO/c1-6-4-2-3-5/h2-4H2,1H3

Weigh it out

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

Names and synonyms

7 names

Propane, 1-chloro-3-methoxy-
Ether, 3-chloropropyl methyl
3-Chloro-1-methoxypropane
3-Chloropropyl methyl ether
3-Methoxypropyl chloride
3-Methoxy-1-chloropropane
Methyl 3-chloropropyl ether

Work with 1-Chloro-3-methoxypropane

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-4-methoxybutane17913-18-783 % similar 2-Chloroethyl methyl ether627-42-967 % similar Dipropylene glycol dimethyl ether111109-77-450 % similar Butyl methyl ether628-28-448 % similar Dimethoxyethane110-71-447 % similar Polyethylene glycol dimethyl ether24991-55-747 % similar 3-Methoxy-1-propanol1589-49-745 % similar 1-Bromo-3-methoxypropane36865-41-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

t-Butyl hypochlorite507-40-4 1-Chloro-2-methylpropan-2-ol558-42-9 1-Chloro-2-ethoxyethane628-34-2 4-Chloro-1-butanol928-51-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook