Dimethyl P-phenylphosphonate

C8H11O3PCAS 2240-41-7186.15 g/mol

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OPOO
Phosphonate

Properties

Molecular formula
C8H11O3P
Molar mass
186.15 g/mol
Exact mass
186.0446 Da
Boiling point
103–104 °C (at 4 Torr)
logP
1.80Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2240-41-7
SMILES
COP(=O)(OC)c1ccccc1
InChIKey
OXDOANYFRLHSML-UHFFFAOYSA-N
InChI
InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

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Names and synonyms

8 names
  • Phosphonic acid, P-phenyl-, dimethyl ester
  • Phosphonic acid, phenyl-, dimethyl ester
  • Dimethyl phenylphosphonate
  • Dimethyl benzenephosphonate
  • Phenylphosphonic acid dimethyl ester
  • Dimethoxyphenylphosphine oxide
  • NSC 62258
  • O,O-Dimethyl phenylphosphonate

Work with Dimethyl P-phenylphosphonate

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

1,2-Bis(dimethoxyphosphoryl)benzene15104-46-864 % similar Diethyl phenylphosphonate1754-49-057 % similar Dioctyl phenylphosphonate1754-47-846 % similar Dimethyl P-(phenylmethyl)phosphonate773-47-745 % similar Methyldiphenylphosphine oxide2129-89-744 % similar Triphenylphosphine oxide791-28-644 % similar Ethyldiphenylphosphine oxide1733-57-940 % similar 4-Methoxyphenylphosphonic acid diethyl ester3762-33-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylbenzylphosphonic acid18896-56-5

Elsewhere

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