Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate

C₁₅H₉F₂₄O₄PCAS 355-86-2740.17 g/mol

Open in Covalent MOL file

Alkyl halide Phosphate

Properties

Molecular formula: C₁₅H₉F₂₄O₄P
Molar mass: 740.17 g/mol
Exact mass: 739.9855 Da
Density: 1.7641 g/mL (at 20 °C)
Melting point: −45 °C
Boiling point: 295–302 °C
logP: 8.66Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 18

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

355-86-2

SMILES

O=P(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

InChIKey

BSOLVVCARHZLMT-UHFFFAOYSA-N

InChI

InChI=1S/C15H9F24O4P/c16-4(17)10(28,29)13(34,35)7(22,23)1-41-44(40,42-2-8(24,25)14(36,37)11(30,31)5(18)19)43-3-9(26,27)15(38,39)12(32,33)6(20)21/h4-6H,1-3H2

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Names and synonyms

2 names

1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-, phosphate (3:1)
Tris(1,1,5-Trihydroperfluoropentyl) phosphate

Work with Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate

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

1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether16627-71-754 % similar 3-(1H,1H,5H-Octafluoropentyloxy)-1,2-epoxypropane19932-27-550 % similar 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol355-80-650 % similar 1,1,2,2,3,3,4,4-Octafluoro-5-iodopentane678-74-050 % similar 1H,1H,5H-Octafluoropentyl acrylate376-84-149 % similar Octafluoropentyl methacrylate355-93-147 % similar 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane336-07-245 % similar 3-(1H,1H,9H-Hexadecafluorononyloxy)-1,2-epoxypropane125370-60-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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