Trioctylphosphine oxide

C₂₄H₅₁OPCAS 78-50-2386.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₅₁OP
Molar mass: 386.64 g/mol
Exact mass: 386.3678 Da
Melting point: 48–54 °C
Boiling point: 180–205 °C (at 1 Torr)
logP: 9.43Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 21

Hazards

Danger

H315 Causes skin irritation97.4% of notifiers
H317 May cause an allergic skin reaction69% of notifiers
H318 Causes serious eye damage29% of notifiers

Aggregated from 155 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, P501

Identifiers

CAS number

78-50-2

SMILES

CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC

InChIKey

ZMBHCYHQLYEYDV-UHFFFAOYSA-N

InChI

InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

Weigh it out

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

Names and synonyms

7 names

Phosphine oxide, trioctyl-
TOPO
Tri-n-octylphosphine oxide
Hostarex PX 324
Cyanex 921
1-Dioctylphosphoryloctane
1-(Dioctylphosphoryl)octane

Work with Trioctylphosphine 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tributylphosphine oxide814-29-979 % similar Tetradecylphosphonic acid4671-75-456 % similar Hexylphosphonic acid4721-24-856 % similar Octadecylphosphonic acid4724-47-456 % similar Octylphosphonic acid4724-48-556 % similar Octane111-65-950 % similar Nonane111-84-250 % similar Dodecane112-40-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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