Diethyl P-(hydroxymethyl)phosphonate

C₅H₁₃O₄PCAS 3084-40-0168.13 g/mol

Open in Covalent MOL file

Alcohol Phosphonate

Properties

Molecular formula: C₅H₁₃O₄P
Molar mass: 168.13 g/mol
Exact mass: 168.0551 Da
Density: 1.0726 g/mL (at 0 °C)
Boiling point: 72 °C (at 5 Torr)
logP: 1.20Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation15.4% of notifiers
H319 Causes serious eye irritation17.3% of notifiers
H335 May cause respiratory irritation13.5% of notifiers

Aggregated from 52 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

3084-40-0

SMILES

CCOP(=O)(CO)OCC

InChIKey

RWIGWWBLTJLKMK-UHFFFAOYSA-N

InChI

InChI=1S/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Phosphonic acid, P-(hydroxymethyl)-, diethyl ester
Phosphonic acid, (hydroxymethyl)-, diethyl ester
Diethyl (hydroxymethyl)phosphonate
(Hydroxymethyl)phosphonate diethyl ester
Diethyl phosphonomethanol
Diethoxyphosphorylmethanol

Work with Diethyl P-(hydroxymethyl)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

Tetraethyl methylenediphosphonate1660-94-261 % similar Tetraethyl ethylenediphosphonate995-32-461 % similar Diethyl ethylphosphonate78-38-658 % similar Diethyl propylphosphonate18812-51-656 % similar Diethyl P-(iodomethyl)phosphonate10419-77-954 % similar P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-754 % similar Dimethyl (hydroxymethyl)phosphonate24630-67-952 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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