chempirical

Bis(2-chloroethyl) carbonate

C5H8Cl2O3CAS 623-97-2187.02 g/mol

Open in Covalent MOL file
OOClOCl
Alkyl halideCarbonate

Properties

Molecular formula
C5H8Cl2O3
Molar mass
187.02 g/mol
Exact mass
185.9850 Da
Density
1.3506 g/mL (at 20 °C)
Melting point
8 °C
Boiling point
241 °C
logP
1.62Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
623-97-2
SMILES
O=C(OCCCl)OCCCl
InChIKey
WQULVXNWEYLDJY-UHFFFAOYSA-N
InChI
InChI=1S/C5H8Cl2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H2

Weigh it out

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

Names and synonyms

4 names
  • Ethanol, 2-chloro-, 1,1′-carbonate
  • Carbonic acid, bis(2-chloroethyl) ester
  • Ethanol, 2-chloro-, carbonate (2:1)
  • NSC 6290

Work with Bis(2-chloroethyl) carbonate

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

Ethylene carbonate96-49-161 % similar 2-Chloroethyl chlorocarbonate627-11-257 % similar Trimethylene carbonate2453-03-455 % similar Poly(trimethylene carbonate)31852-84-355 % similar Chloroethyl acrylate2206-89-548 % similar Dipropyl carbonate623-96-148 % similar Dibutyl carbonate542-52-944 % similar 2-Chloroethyl benzoate939-55-943 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook