Diethyl P-(2,2-diethoxyethyl)phosphonate

C10H23O5PCAS 7598-61-0254.26 g/mol

Open in Covalent MOL file
OPOOOO
AcetalEtherPhosphonate

Properties

Molecular formula
C10H23O5P
Molar mass
254.26 g/mol
Exact mass
254.1283 Da
Density
1.0515 g/mL (at 20 °C)
Boiling point
146–149 °C
logP
2.65Crippen estimate
Polar surface area
54.0 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
7598-61-0
SMILES
CCOC(CP(=O)(OCC)OCC)OCC
InChIKey
LUQYELQXRPNKRY-UHFFFAOYSA-N
InChI
InChI=1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3

Weigh it out

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

Names and synonyms

8 names
  • Phosphonic acid, P-(2,2-diethoxyethyl)-, diethyl ester
  • Phosphonic acid, (formylmethyl)-, diethyl ester, diethyl acetal
  • Phosphonic acid, (2,2-diethoxyethyl)-, diethyl ester
  • Diethylphosphonoacetaldehyde diethyl acetal
  • Diethyl (2,2-diethoxyethyl)phosphonate
  • NSC 407851
  • NSC 77101
  • 2-Diethoxyphosphoryl-1,1-diethoxyethane

Work with Diethyl P-(2,2-diethoxyethyl)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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 Diethyl decylphosphonate16165-68-747 % similar Diethyl butylphosphonate2404-75-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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