chempirical

Phenyl phosphorodichloridate

C6H5Cl2O2PCAS 770-12-7210.98 g/mol

Open in Covalent MOL file
OPClClO

Properties

Molecular formula
C6H5Cl2O2P
Molar mass
210.98 g/mol
Exact mass
209.9404 Da
Density
1.4145 g/mL (at 20 °C)
Boiling point
242 °C
logP
3.65Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
770-12-7
SMILES
O=P(Cl)(Cl)Oc1ccccc1
InChIKey
TXFOLHZMICYNRM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H

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Names and synonyms

8 names
  • Phosphorodichloridic acid, phenyl ester
  • Phenylphosphoric dichloride
  • Phenoxydichlorophosphine oxide
  • Phenyl dichlorophosphate
  • Dichlorophenoxyphosphine oxide
  • Phenoxyphosphoryl dichloride
  • Phenyl dichlorophosphinate
  • NSC 44412

Work with Phenyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chlorophenyl phosphorodichloridate772-79-263 % similar Diphenyl chlorophosphate2524-64-362 % similar o-Chlorophenyl dichlorophosphate15074-54-159 % similar Triphenyl phosphate115-86-656 % similar Phenyl phosphorodiamidate7450-69-350 % similar Diphenyl phosphate838-85-750 % similar Resorcinol bis(diphenyl phosphate)57583-54-748 % similar Diphosphoryl chloride13498-14-145 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook