Bis(chloroethyl) ether

C₄H₈Cl₂OCAS 111-44-4143.01 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₄H₈Cl₂O
Molar mass: 143.01 g/mol
Exact mass: 141.9952 Da
Density: 1.22 g/mL (at 20 °C)
Melting point: −51.9 °C
Boiling point: 178.5 °C
Flash point: 55 °C (closed cup)
Water solubility: 10.2 g/L (20 °C)
logP: 1.48Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H310 Fatal in contact with skinAcute toxicity, dermal
H330 Fatal if inhaledAcute toxicity, inhalation
H351 Suspected of causing cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P320, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

111-44-4

SMILES

ClCCOCCCl

InChIKey

ZNSMNVMLTJELDZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2

Weigh it out

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

Names and synonyms

25 names · show all

1-Chloro-2-(β-chloroethoxy)ethane
Ethane, 1,1′-oxybis[2-chloro-
Ether, bis(2-chloroethyl)
Ether, bis(chloroethyl)
1,1′-Oxybis[2-chloroethane]
Bis(β-chloroethyl) ether
Bis(2-chloroethyl) ether
Chlorex
DCEE
2,2′-Dichlorethyl ether
β,β′-Dichloroethyl ether
Di(β-Chloroethyl) ether
β,β′-Dichlorodiethyl ether
2,2′-Dichlorodiethyl ether
2,2′-Dichloroethyl ether
Sym-Dichloroethyl ether
2-Chloroethyl ether
1,5-Dichloro-3-oxapentane
Diethylene glycol dichloride
Oxygen mustard
1-Chloro-2-(2-chloroethoxy)ethane
2-(2-Chloroethoxy)ethyl chloride
Di-2-chloroethyl ether
NSC 406647
BCEE

Work with Bis(chloroethyl) ether

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

1,2-Bis(2-chloroethoxy)ethane112-26-592 % similar Bis(2-chloroethoxy)methane111-91-171 % similar 1-(2-Chloroethoxy)propane42149-74-665 % similar 2-(Chloroethoxy)ethanol628-89-765 % similar 2-[(2-Chloroethoxy)ethoxy]ethanol5197-62-661 % similar 1-Chloro-2-ethoxyethane628-34-259 % similar 1-(2-Chloroethoxy)butane10503-96-558 % similar 1,1′-Oxybis[4-chlorobutane]6334-96-956 % similar

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

Same formula

1,2-Dichloro-1-ethoxyethane623-46-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia