1,2-Bis(2-chloroethoxy)ethane
Properties
- Molecular formula
- C6H12Cl2O2
- Molar mass
- 187.06 g/mol
- Exact mass
- 186.0214 Da
- Density
- 1.1974 g/mL (at 20 °C)
- Melting point
- −31.5 °C
- Boiling point
- 241.3 °C
- Flash point
- 121.1 °C (open cup)
- Water solubility
- 18.9 g/L
- logP
- 1.50Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 7
Hazards
Danger
- H301 Toxic if swallowed98.1% of notifiers
- H312 Harmful in contact with skin99.4% of notifiers
- H315 Causes skin irritation94.9% of notifiers
- H318 Causes serious eye damage26.3% of notifiers
- H319 Causes serious eye irritation71.2% of notifiers
- H335 May cause respiratory irritation28.2% of notifiers
Aggregated from 156 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
112-26-5SMILES
ClCCOCCOCCClInChIKey
AGYUOJIYYGGHKV-UHFFFAOYSA-NInChI
InChI=1S/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Ethane, 1,2-bis(2-chloroethoxy)-
- 2-(2-Chloroethoxy)ethyl 2′-chloroethyl ether
- Triethylene glycol dichloride
- Triglycol dichloride
- 1,2-Bis(chloroethoxy)ethane
- Bis(2-chloroethoxy)ethane
- Bis(chloroethoxy)ethane
- 1,8-Dichloro-3,6-dioxaoctane
- Ethylene glycol bis(2-chloroethyl) ether
- 1-Chloro-2-[2-(2-chloroethoxy)ethoxy]ethane
Work with 1,2-Bis(2-chloroethoxy)ethane
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) ether111-44-492 % similar
Bis(2-chloroethoxy)methane111-91-167 % similar
2-[(2-Chloroethoxy)ethoxy]ethanol5197-62-667 % similar
1-(2-Chloroethoxy)propane42149-74-661 % similar
2-(Chloroethoxy)ethanol628-89-761 % similar
1-Chloro-2-ethoxyethane628-34-256 % similar
1-(2-Chloroethoxy)butane10503-96-555 % similar
1,1′-Oxybis[4-chlorobutane]6334-96-953 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.