Diethyl (ethoxycarbonyl)phosphonate

C₇H₁₅O₅PCAS 1474-78-8210.17 g/mol

Open in Covalent MOL file

Phosphonate

Properties

Molecular formula: C₇H₁₅O₅P
Molar mass: 210.17 g/mol
Exact mass: 210.0657 Da
Density: 1.045 g/mL (at 20 °C)
Boiling point: 122.5–123 °C (at 8 Torr)
logP: 2.41Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction55.6% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1474-78-8

SMILES

CCOC(=O)P(=O)(OCC)OCC

InChIKey

NOJFJZZMRDSOLM-UHFFFAOYSA-N

InChI

InChI=1S/C7H15O5P/c1-4-10-7(8)13(9,11-5-2)12-6-3/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

8 names

Phosphinecarboxylic acid, 1,1-diethoxy-, ethyl ester, 1-oxide
Formic acid, phosphono-, triethyl ester
Phosphinecarboxylic acid, diethoxy-, ethyl ester, oxide
Diethyl carbethoxyphosphonate
Triethyl carboxyphosphonate
Ethyl diethylphosphonoformate
Triethyl phosphonoformate
NSC 108684

Work with Diethyl (ethoxycarbonyl)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

Diethyl (ethoxyacetyl)phosphonate30492-56-950 % similar Triethyl phosphonoacetate867-13-045 % similar Triethyl 4-phosphonocrotonate10236-14-343 % similar Triethyl 3-phosphonopropionate3699-67-043 % similar Triethyl 2-phosphonopropionate3699-66-942 % similar Diethyl maleate141-05-941 % similar Diethyl fumarate623-91-641 % similar Diethyl carbonate105-58-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl (diethylphosphono)acetate1067-74-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook