Diethyl phenylphosphonate

C10H15O3PCAS 1754-49-0214.20 g/mol

Open in Covalent MOL file
OPOO
Phosphonate

Properties

Molecular formula
C10H15O3P
Molar mass
214.20 g/mol
Exact mass
214.0759 Da
Density
1.1155 g/mL (at 20 °C)
Boiling point
117–118 °C (at 1.5 Torr)
logP
2.58Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1754-49-0
SMILES
CCOP(=O)(OCC)c1ccccc1
InChIKey
VZEGPPPCKHRYGO-UHFFFAOYSA-N
InChI
InChI=1S/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Weigh it out

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Names and synonyms

5 names
  • Phosphonic acid, P-phenyl-, diethyl ester
  • Phosphonic acid, phenyl-, diethyl ester
  • Diethyl benzenephosphonate
  • Diethoxyphenylphosphine oxide
  • NSC 5742

Reactions

Work with Diethyl 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

4-Methoxyphenylphosphonic acid diethyl ester3762-33-265 % similar Dioctyl phenylphosphonate1754-47-861 % similar Dimethyl P-phenylphosphonate2240-41-757 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-650 % similar Diethyl phosphoranilidate1445-38-148 % similar Edifenphos17109-49-848 % similar Diethyl(diphenylmethyl) phosphate27329-60-848 % similar Ethyldiphenylphosphine oxide1733-57-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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