Methyl (diethylphosphono)acetate

C7H15O5PCAS 1067-74-9210.17 g/mol

Open in Covalent MOL file
OPOOOO
EsterPhosphonate

Properties

Molecular formula
C7H15O5P
Molar mass
210.17 g/mol
Exact mass
210.0657 Da
Density
1.1611 g/mL (at 20 °C)
Boiling point
99 °C (at 1 Torr)
logP
1.43Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
1067-74-9
SMILES
CCOP(=O)(CC(=O)OC)OCC
InChIKey
CTSAXXHOGZNKJR-UHFFFAOYSA-N
InChI
InChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

24 names · show all
  • (Methoxycarbonylmethyl) diethoxyphosphine oxide
  • Acetic acid, 2-(diethoxyphosphinyl)-, methyl ester
  • Acetic acid, phosphono-, P,P-diethyl methyl ester
  • Acetic acid, (diethoxyphosphinyl)-, methyl ester
  • Acetic acid, phosphono-, diethyl 1-methyl ester
  • Diethylphosphonoacetic acid methyl ester
  • Diethyl methoxycarbonylmethanephosphonate
  • Diethyl carbomethoxymethylphosphonate
  • Diethyl phosphonate, methoxycarbonylmethyl-
  • O,O-Diethyl phosphonoacetic acid methyl ester
  • Methoxycarbonylmethanephosphonic acid diethyl ester
  • Methyl diethoxyphosphonoacetate
  • Methyl di-O-ethylphosphonoacetate
  • Diethyl (methoxycarbonylmethyl)phosphonate
  • [(Methoxycarbonyl)methyl]phosphonic acid diethyl ester
  • Methyl 2-(diethylphosphonato)acetate
  • (Diethoxyphosphinyl)acetic acid methyl ester
  • Methyl (diethoxyphosphinyl)acetate
  • NSC 147757
  • Methyl 2-(diethylphosphono)acetate
  • Methyl 2-(diethoxyphosphono)acetate
  • Methyl 2-(diethoxyphosphinyl)acetate
  • Methyl 2-(diethoxyphosphoryl)acetate
  • Methyl diethylphosphonoacetate

Work with Methyl (diethylphosphono)acetate

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

Triethyl phosphonoacetate867-13-070 % similar Trimethyl phosphonoacetate5927-18-463 % similar tert-Butyl diethylphosphonoacetate27784-76-562 % similar Trimethylsilyl (diethoxyphosphinoyl)acetate66130-90-362 % similar Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate88738-78-760 % similar Diethyl (2-oxopropyl)phosphonate1067-71-656 % similar (Diethoxyphosphinyl)acetic acid3095-95-255 % similar Ethyl (dimethoxyphosphinoyl)acetate311-46-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl (ethoxycarbonyl)phosphonate1474-78-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook