chempirical

Tributylphosphine oxide

C12H27OPCAS 814-29-9218.32 g/mol

Open in Covalent MOL file
PO

Properties

Molecular formula
C12H27OP
Molar mass
218.32 g/mol
Exact mass
218.1800 Da
Density
0.848 g/mL (at 20 °C)
Melting point
64 °C
Boiling point
300 °C
logP
4.75Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
9

Identifiers

CAS number
814-29-9
SMILES
CCCCP(=O)(CCCC)CCCC
InChIKey
MNZAKDODWSQONA-UHFFFAOYSA-N
InChI
InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3

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Names and synonyms

8 names
  • Phosphine oxide, tributyl-
  • Butyphos
  • Trisbutylphosphine oxide
  • TBPO
  • NSC 41935
  • NSC 65484
  • 1-Dibutylphosphorylbutane
  • 1-(Dibutylphosphoryl)butane

Work with Tributylphosphine oxide

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

Trioctylphosphine oxide78-50-279 % similar Tetradecylphosphonic acid4671-75-442 % similar Octadecylphosphonic acid4724-47-442 % similar Octylphosphonic acid4724-48-542 % similar Pentane109-66-041 % similar Tributyl phosphate126-73-840 % similar Propylphosphonic acid4672-38-239 % similar Propanephosphonic acid anhydride68957-94-839 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook