chempirical

C,C′-(Oxydi-2,1-ethanediyl) dicarbonochloridate

C6H8Cl2O5CAS 106-75-2231.02 g/mol

Open in Covalent MOL file
OClOOOOCl
Acyl halideEther

Properties

Molecular formula
C6H8Cl2O5
Molar mass
231.02 g/mol
Exact mass
229.9749 Da
Density
1.35 g/mL (at 27 °C)
Boiling point
127 °C (at 5 Torr)
logP
1.75Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Identifiers

CAS number
106-75-2
SMILES
O=C(Cl)OCCOCCOC(=O)Cl
InChIKey
XFSAZBKSWGOXRH-UHFFFAOYSA-N
InChI
InChI=1S/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2

Weigh it out

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

Names and synonyms

10 names
  • Carbonochloridic acid, C,C′-(oxydi-2,1-ethanediyl) ester
  • Formic acid, chloro-, oxydiethylene ester
  • Carbonochloridic acid, oxydi-2,1-ethanediyl ester
  • Formic acid, chloro-, diester with diethylene glycol
  • Diethylene glycol, bis(chloroformate)
  • Oxydiethylene chloroformate
  • 1,5-Bis[(chlorocarbonyl)oxy]-3-oxapentane
  • Oxydiethylene bis(chloroformate)
  • Bis(2-chlorocarbonyloxyethyl)ether
  • NSC 2346

Work with C,C′-(Oxydi-2,1-ethanediyl) dicarbonochloridate

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

C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-7100 % similar 2-Methoxyethyl chloroformate628-12-663 % similar 2-Chloroethyl chlorocarbonate627-11-261 % similar Propyl chloroformate109-61-558 % similar 3-Chloropropyl chloroformate628-11-556 % similar Butyl chloroformate592-34-754 % similar Chloromethyl chloroformate22128-62-752 % similar Pentyl chloroformate638-41-552 % similar

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

Elsewhere

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