Bis(2-chloroethoxy)methane

C₅H₁₀Cl₂O₂CAS 111-91-1173.03 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₅H₁₀Cl₂O₂
Molar mass: 173.03 g/mol
Exact mass: 172.0058 Da
Density: 1.2339 g/mL (at 20 °C)
Melting point: −32 °C
Boiling point: 218.1 °C
Flash point: 110 °C (open cup)
Water solubility: 7.8 g/L (20 °C)
logP: 1.45Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed99.1% of notifiers
H312 Harmful in contact with skin74.1% of notifiers
H330 Fatal if inhaled72.2% of notifiers
H370 Causes damage to organs61.1% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure73.1% of notifiers

Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P308+P316, P316, P317, P319, P320, P321, P330, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

111-91-1

SMILES

ClCCOCOCCCl

InChIKey

NLXGURFLBLRZRO-UHFFFAOYSA-N

InChI

InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2

Weigh it out

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

Names and synonyms

12 names

Ethane, 1,1′-[methylenebis(oxy)]bis[2-chloro-
Methane, bis(2-chloroethoxy)-
1,1′-[Methylenebis(oxy)]bis[2-chloroethane]
Di-2-chloroethyl formal
Formaldehyde bis(β-chloroethyl) acetal
Bis(β-chloroethyl) formal
Bis(2-chloroethyl) formal
Formaldehyde bis(2-chloroethyl) acetal
Di(2-chloroethoxy)methane
1,7-Dichloro-3,5-dioxaheptane
NSC 5212
1-Chloro-2-(2-chloroethoxymethoxy)ethane

Work with Bis(2-chloroethoxy)methane

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

Bis(chloroethyl) ether111-44-471 % similar 1,2-Bis(2-chloroethoxy)ethane112-26-567 % similar 1-Chloro-2-ethoxyethane628-34-253 % similar 1-(2-Chloroethoxy)propane42149-74-650 % similar 2-(Chloroethoxy)ethanol628-89-750 % similar Dioxolane646-06-050 % similar 2-[(2-Chloroethoxy)ethoxy]ethanol5197-62-648 % similar 1-(2-Chloroethoxy)butane10503-96-545 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook