Tetraethyl pyrophosphate

C8H20O7P2CAS 107-49-3290.19 g/mol

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OPOOOPOOO
Phosphate

Properties

Molecular formula
C8H20O7P2
Molar mass
290.19 g/mol
Exact mass
290.0684 Da
Density
1.185 g/mL (at 20 °C)
Melting point
208–213 °C (decomposes)
Boiling point
138 °C (at 2.3 Torr)
Flash point
110 °C (closed cup)
Water solubility
miscible
logP
3.37Crippen estimate
Polar surface area
80.3 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
10

Hazards

Danger
Acute Toxic (GHS06)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 015-025-00-2), via PubChem.

Precautionary statements

P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, P501

Identifiers

CAS number
107-49-3
SMILES
CCOP(=O)(OCC)OP(=O)(OCC)OCC
InChIKey
IDCBOTIENDVCBQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3

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Names and synonyms

17 names · show all
  • Diphosphoric acid, P,P,P′,P′-tetraethyl ester
  • Pyrophosphoric acid, tetraethyl ester
  • Diphosphoric acid, tetraethyl ester
  • Bis-O,O-diethylphosphoric anhydride
  • Bladan
  • TEP
  • TEPP
  • Vapotone
  • Ethyl pyrophosphate (Et4P2O7)
  • Nifos
  • Tetrastigmine
  • Tetraethyl diphosphate
  • Pyrodust
  • Killex
  • TEP (phosphate)
  • NSC 14707
  • NSC 646213

Work with Tetraethyl pyrophosphate

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

Hexaethyl tetraphosphate757-58-494 % similar Triethyl phosphate78-40-078 % similar Tetraethyl methylenediphosphonate1660-94-248 % similar Diethyl methylphosphonate683-08-948 % similar Tetraethyl ethylenediphosphonate995-32-448 % similar Ethyl phosphorodichloridate1498-51-746 % similar Diethyl ethylphosphonate78-38-646 % similar Diethyl phosphorochloridate814-49-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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