Diethyl propylphosphonate

C₇H₁₇O₃PCAS 18812-51-6180.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₇O₃P
Molar mass: 180.18 g/mol
Exact mass: 180.0915 Da
Density: 0.9937 g/mL (at 30 °C)
Boiling point: 102 °C (at 17 Torr)
logP: 2.66Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 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

18812-51-6

SMILES

CCCP(=O)(OCC)OCC

InChIKey

RUIKOPXSCCGLOM-UHFFFAOYSA-N

InChI

InChI=1S/C7H17O3P/c1-4-7-11(8,9-5-2)10-6-3/h4-7H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

Phosphonic acid, P-propyl-, diethyl ester
Phosphonic acid, propyl-, diethyl ester
O,O-Diethyl propylphosphonate
Diethyl propanephosphonate
Diethoxypropylphosphine oxide
1-Diethoxyphosphorylpropane

Work with Diethyl propylphosphonate

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

Tetraethyl ethylenediphosphonate995-32-480 % similar Diethyl butylphosphonate2404-75-378 % similar Diethyl decylphosphonate16165-68-772 % similar Diethyl P-(2-bromoethyl)phosphonate5324-30-164 % similar Tetraethyl methylenediphosphonate1660-94-264 % similar Diethyl ethylphosphonate78-38-661 % similar Diethyl P-[2-(triethoxysilyl)ethyl]phosphonate757-44-859 % similar Propanephosphonic acid anhydride68957-94-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diisopropyl methylphosphonate1445-75-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook