Diethyl P-(phenylmethyl)phosphonate

C11H17O3PCAS 1080-32-6228.23 g/mol

Open in Covalent MOL file
OPOO
Phosphonate

Properties

Molecular formula
C11H17O3P
Molar mass
228.23 g/mol
Exact mass
228.0915 Da
Density
1.1189 g/mL (at 0 °C)
Boiling point
153–155 °C (at 12 Torr)
logP
3.45Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1080-32-6
SMILES
CCOP(=O)(Cc1ccccc1)OCC
InChIKey
AIPRAPZUGUTQKX-UHFFFAOYSA-N
InChI
InChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Phosphonic acid, P-(phenylmethyl)-, diethyl ester
  • Phosphonic acid, benzyl-, diethyl ester
  • Phosphonic acid, (phenylmethyl)-, diethyl ester
  • Diethyl benzylphosphonate
  • (Diethoxyphosphonomethyl)benzene
  • Benzyl diethyl phosphonate
  • Diethyl (phenylmethyl)phosphonate
  • NSC 62294
  • Benzylphosphonic acid diethyl ester
  • JC 228

Work with Diethyl P-(phenylmethyl)phosphonate

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

P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-785 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-576 % similar Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-271 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-769 % similar Diethyl P-((4-bromophenyl)methyl)phosphonate38186-51-569 % similar Diethyl 4-chlorobenzylphosphonate39225-17-769 % similar Diethyl P-[(4-fluorophenyl)methyl]phosphonate63909-58-069 % similar Diethyl P-((4-methoxyphenyl)methyl)phosphonate1145-93-367 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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