Diethyl methylphosphonate

C5H13O3PCAS 683-08-9152.13 g/mol

Open in Covalent MOL file
OPOO
Phosphonate

Properties

Molecular formula
C5H13O3P
Molar mass
152.13 g/mol
Exact mass
152.0602 Da
Density
1.0726 g/mL (at 0 °C)
Boiling point
194 °C
logP
1.88Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
683-08-9
SMILES
CCOP(C)(=O)OCC
InChIKey
NYYLZXREFNYPKB-UHFFFAOYSA-N
InChI
InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3

Weigh it out

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Names and synonyms

8 names
  • Phosphonic acid, P-methyl-, diethyl ester
  • Phosphonic acid, methyl-, diethyl ester
  • Diethyl methanephosphonate
  • O,O-Diethyl methylphosphonate
  • DEMP
  • Diethoxymethylphosphine oxide
  • Bis(diethoxyphosphinyl)methane
  • 1-[Ethoxy(methyl)phosphoryl]oxyethane

Work with Diethyl methylphosphonate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Triethyl phosphate78-40-052 % similar Bis((5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl) methyl phosphonate P,P'-dioxide42595-45-950 % similar Tetraethyl pyrophosphate107-49-348 % similar Tetraethyl methylenediphosphonate1660-94-248 % similar Tetraethyl ethylenediphosphonate995-32-448 % similar Ethyl phosphorodichloridate1498-51-746 % similar Hexaethyl tetraphosphate757-58-446 % similar Diethyl ethylphosphonate78-38-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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