Diethyl (2-oxopropyl)phosphonate

C₇H₁₅O₄PCAS 1067-71-6194.17 g/mol

Open in Covalent MOL file

Ketone Phosphonate

Properties

Molecular formula: C₇H₁₅O₄P
Molar mass: 194.17 g/mol
Exact mass: 194.0708 Da
logP: 1.84Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1067-71-6

SMILES

CCOP(=O)(CC(=O)C)OCC

InChIKey

RSAFKRSMGOSHRK-UHFFFAOYSA-N

InChI

InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

1-Diethoxyphosphorylpropan-2-one

Work with Diethyl (2-oxopropyl)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

Dimethyl P-(2-oxopropyl)phosphonate4202-14-659 % similar (Diethoxyphosphinyl)acetic acid3095-95-258 % similar Triethyl phosphonoacetate867-13-058 % similar Methyl (diethylphosphono)acetate1067-74-956 % similar Tetraethyl methylenediphosphonate1660-94-252 % similar Tetraethyl ethylenediphosphonate995-32-452 % similar tert-Butyl diethylphosphonoacetate27784-76-551 % similar Trimethylsilyl (diethoxyphosphinoyl)acetate66130-90-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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