chempirical

Ethyl phosphorodichloridate

C2H5Cl2O2PCAS 1498-51-7162.93 g/mol

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OPOClCl

Properties

Molecular formula
C2H5Cl2O2P
Molar mass
162.93 g/mol
Exact mass
161.9404 Da
Density
1.35 g/mL (at 19 °C)
Melting point
−42.5 °C
Boiling point
96–104 °C (at NaN Torr)
logP
2.61Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1498-51-7
SMILES
CCOP(=O)(Cl)Cl
InChIKey
YZBOZNXACBQJHI-UHFFFAOYSA-N
InChI
InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3

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Names and synonyms

10 names
  • Phosphorodichloridic acid, ethyl ester
  • Ethyl chlorophosphate, (EtO)Cl2PO
  • Ethylphosphoric acid dichloride
  • Dichloroethoxyphosphine oxide
  • Ethyl dichlorophosphinate
  • Ethyl dichlorophosphate
  • Ethyl phosphoryl dichloride
  • Ethoxyphosphoryl dichloride
  • NSC 87531
  • 1-Dichlorophosphoryloxyethane

Work with Ethyl phosphorodichloridate

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

Diethyl phosphorochloridate814-49-357 % similar Triethyl phosphate78-40-050 % similar Tetraethyl pyrophosphate107-49-346 % similar Tetraethyl methylenediphosphonate1660-94-246 % similar Diethyl methylphosphonate683-08-946 % similar Tetraethyl ethylenediphosphonate995-32-446 % similar Diphosphoryl chloride13498-14-145 % similar O,O-Diethyl phosphorochloridothioate2524-04-144 % similar

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

Elsewhere

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