Diethyl P-2-propen-1-ylphosphonate

C7H15O3PCAS 1067-87-4178.17 g/mol

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POOO
AlkenePhosphonate

Properties

Molecular formula
C7H15O3P
Molar mass
178.17 g/mol
Exact mass
178.0759 Da
Density
1.0362 g/mL (at 17 °C)
Boiling point
96.5–97 °C (at 11 Torr)
logP
2.44Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
1067-87-4
SMILES
C=CCP(=O)(OCC)OCC
InChIKey
YPJHXRAHMUKXAE-UHFFFAOYSA-N
InChI
InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3

Weigh it out

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

Names and synonyms

7 names
  • Phosphonic acid, P-2-propen-1-yl-, diethyl ester
  • Phosphonic acid, allyl-, diethyl ester
  • Phosphonic acid, 2-propenyl-, diethyl ester
  • Diethyl allylphosphonate
  • Diethyl α-allylphosphonate
  • Diethyl prop-2-enylphosphonate
  • 3-Diethoxyphosphorylprop-1-ene

Work with Diethyl P-2-propen-1-ylphosphonate

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

Dimethyl allylphosphonate757-54-057 % similar Tetraethyl methylenediphosphonate1660-94-254 % similar Tetraethyl ethylenediphosphonate995-32-454 % similar Diethyl ethylphosphonate78-38-652 % similar Diethyl propylphosphonate18812-51-650 % similar Diethyl P-(iodomethyl)phosphonate10419-77-948 % similar Diethyl P-(hydroxymethyl)phosphonate3084-40-048 % similar Triethyl 4-phosphonocrotonate10236-14-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook