chempirical

2,2,2-Trichloroethoxycarbonyl chloride

C3H2Cl4O2CAS 17341-93-4211.85 g/mol

Open in Covalent MOL file
OClOClClCl
Acyl halideAlkyl halide

Properties

Molecular formula
C3H2Cl4O2
Molar mass
211.85 g/mol
Exact mass
209.8809 Da
Boiling point
52–53 °C (at NaN Torr)
logP
2.73Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
17341-93-4
SMILES
O=C(Cl)OCC(Cl)(Cl)Cl
InChIKey
LJCZNYWLQZZIOS-UHFFFAOYSA-N
InChI
InChI=1S/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2

Weigh it out

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

Names and synonyms

11 names
  • Carbonochloridic acid, 2,2,2-trichloroethyl ester
  • Formic acid, chloro-, 2,2,2-trichloroethyl ester
  • Ethanol, 2,2,2-trichloro-, chloroformate
  • 2,2,2-Trichloroethyl chloroformate
  • β,β,β-Trichloroethyl chloroformate
  • β,β,β-Trichloroethoxycarbonyl chloride
  • (Trichloroethoxy)chloroformate
  • NSC 152038
  • Chloroformic acid 2,2,2-trichloroethyl ester
  • Troc-cl
  • 2,2,2-Trichloroethyl carbonochloridate

Work with 2,2,2-Trichloroethoxycarbonyl chloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chloromethyl chloroformate22128-62-748 % similar C,C′-(Oxydi-2,1-ethanediyl) dicarbonochloridate106-75-246 % similar C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-746 % similar Ethyl chloroformate541-41-346 % similar 2-Chloroethyl chlorocarbonate627-11-244 % similar Propyl chloroformate109-61-543 % similar Isobutyl chloroformate543-27-143 % similar Diphosgene503-38-842 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia