chempirical

4-Chlorophenyl phosphorodichloridate

C6H4Cl3O2PCAS 772-79-2245.42 g/mol

Open in Covalent MOL file
OPClClOCl
Aryl halide

Properties

Molecular formula
C6H4Cl3O2P
Molar mass
245.42 g/mol
Exact mass
243.9014 Da
Density
1.5236 g/mL (at 20 °C)
Boiling point
95–115 °C (at 0.1 Torr)
logP
4.30Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
772-79-2
SMILES
O=P(Cl)(Cl)Oc1ccc(Cl)cc1
InChIKey
CCZMQYGSXWZFKI-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H

Weigh it out

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

Names and synonyms

10 names
  • Phosphorodichloridic acid, 4-chlorophenyl ester
  • Phosphorodichloridic acid, p-chlorophenyl ester
  • Phenol, p-chloro-, phosphorodichloridate
  • p-Chlorophenyl dichlorophosphate
  • p-Chlorophenyl phosphorodichloridate
  • 4-Chlorophenyl dichlorophosphate
  • 4-Chlorophenyl dichlorophosphinate
  • 1-Chloro-4-dichlorophosphoryloxybenzen
  • (4-Chlorophenoxy)phosphonoyl dichloride
  • 1-Chloro-4-dichlorophosphoryloxybenzene

Work with 4-Chlorophenyl 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

Phenyl phosphorodichloridate770-12-763 % similar Diphosphoryl chloride13498-14-142 % similar Bis(P-chlorophenoxy)methane555-89-541 % similar 4-Chloroanisole623-12-141 % similar 4-Chlorophenyl phenyl ether7005-72-340 % similar 1,4-Dichlorobenzene106-46-739 % similar 4-(4-Chlorophenoxy)benzenamine101-79-138 % similar Diphenyl chlorophosphate2524-64-338 % similar

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

Same formula

o-Chlorophenyl dichlorophosphate15074-54-1

Elsewhere

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