chempirical

Diethyl ethylphosphonate

C6H15O3PCAS 78-38-6166.16 g/mol

Open in Covalent MOL file
OPOO
Phosphonate

Properties

Molecular formula
C6H15O3P
Molar mass
166.16 g/mol
Exact mass
166.0759 Da
Density
1.0259 g/mL (at 20 °C)
Melting point
197.8 °C
Boiling point
198 °C
Flash point
104.4 °C
Water solubility
slightly soluble
logP
2.27Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 257 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501

Identifiers

CAS number
78-38-6
SMILES
CCOP(=O)(CC)OCC
InChIKey
AATNZNJRDOVKDD-UHFFFAOYSA-N
InChI
InChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

12 names
  • Phosphonic acid, P-ethyl-, diethyl ester
  • Phosphonic acid, ethyl-, diethyl ester
  • Diethyl ethanephosphonate
  • Diethoxyethylphosphine oxide
  • Amgard V 490
  • Ethyldiethoxyphosphine oxide
  • Antiblaze 75
  • NSC 2671
  • Antiblaze V 490
  • Ethyldiethylphosphonic acid
  • DEEP
  • Albemarle V 490

Work with Diethyl ethylphosphonate

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 methylenediphosphonate1660-94-267 % similar Tetraethyl ethylenediphosphonate995-32-467 % similar Diethyl propylphosphonate18812-51-661 % similar Diethyl P-(iodomethyl)phosphonate10419-77-958 % similar Diethyl P-(hydroxymethyl)phosphonate3084-40-058 % similar Diethyl butylphosphonate2404-75-354 % similar Diethyl P-(cyanomethyl)phosphonate2537-48-654 % similar Diethyl P-[(methylthio)methyl]phosphonate28460-01-754 % similar

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

Same formula

Triethyl phosphite122-52-1 Diisopropylphosphite1809-20-7 Hexylphosphonic acid4721-24-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook