chempirical

Triphosgene

C3Cl6O3CAS 32315-10-9296.73 g/mol

Open in Covalent MOL file
OOClClClOClClCl
Alkyl halideCarbonate

Properties

Molecular formula
C3Cl6O3
Molar mass
296.73 g/mol
Exact mass
293.7979 Da
Density
1.73 g/mL
Melting point
79 °C
Boiling point
203 °C
logP
3.79Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
32315-10-9
SMILES
O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl
InChIKey
UCPYLLCMEDAXFR-UHFFFAOYSA-N
InChI
InChI=1S/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9

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

Names and synonyms

5 names
  • Methanol, 1,1,1-trichloro-, 1,1′-carbonate
  • Carbonic acid, bis(trichloromethyl) ester
  • Methanol, trichloro-, carbonate (2:1)
  • Bis(trichloromethyl) carbonate
  • BTC

Work with Triphosgene

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

Diphosgene503-38-852 % similar Dimethyl carbonate616-38-635 % similar Dimethyl dicarbonate4525-33-132 % similar Trichloroacetic anhydride4124-31-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia