Tributylphosphine oxide
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
Hazards
Danger
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled69.5% of notifiers
- H302 Harmful if swallowed96.7% of notifiers
- H312 Harmful in contact with skin96.7% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage69.5% of notifiers
- H332 Harmful if inhaled96.7% of notifiers
- H335 May cause respiratory irritation68.9% of notifiers
Aggregated from 151 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
814-29-9SMILES
CCCCP(=O)(CCCC)CCCCInChIKey
MNZAKDODWSQONA-UHFFFAOYSA-NInChI
InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
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
Diethyl butylphosphonate2404-75-346 % similar
Tetradecylphosphonic acid4671-75-442 % similar
Hexylphosphonic acid4721-24-842 % similar
Octadecylphosphonic acid4724-47-442 % similar
Octylphosphonic acid4724-48-542 % similar
Pentane109-66-041 % similar
Hexane110-54-341 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.