chempirical

Diphosgene

C2Cl4O2CAS 503-38-8197.82 g/mol

Open in Covalent MOL file
OClOClClCl
Acyl halideAlkyl halide

Properties

Molecular formula
C2Cl4O2
Molar mass
197.82 g/mol
Exact mass
195.8652 Da
Density
1.6525 g/mL (at 14 °C)
Melting point
−57 °C
Boiling point
128 °C
logP
2.69Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
503-38-8
SMILES
O=C(Cl)OC(Cl)(Cl)Cl
InChIKey
HCUYBXPSSCRKRF-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl4O2/c3-1(7)8-2(4,5)6

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Names and synonyms

8 names
  • Methanol, trichloro-, chloroformate
  • Carbonochloridic acid, trichloromethyl ester
  • Formic acid, chloro-, trichloromethyl ester
  • Trichloromethyl chloroformate
  • Diphosgen
  • Trichloromethyl chlorocarbonate
  • Trichloromethyl carbonochloridate
  • Chloroformic acid trichloromethyl ester

Work with Diphosgene

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

Triphosgene32315-10-952 % similar 2,2,2-Trichloroethoxycarbonyl chloride17341-93-442 % similar Methyl chloroformate79-22-139 % similar Chloromethyl chloroformate22128-62-736 % similar C,C′-(Oxydi-2,1-ethanediyl) dicarbonochloridate106-75-235 % similar Isopropyl chloroformate108-23-635 % similar C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-735 % similar Ethyl chloroformate541-41-335 % similar

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

Elsewhere

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