trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane; trihexyl(tetradecyl)phosphanium

• ChemBase ID: 139351
• Molecular Formular: C34H68F6NO4PS2
• Molecular Mass: 764.0022002
• Monoisotopic Mass: 763.42315761
• SMILES: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC
• InChI: InChI=1S/C32H68P.C2F6NO4S2/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-32H2,1-4H3;/q+1;-1
• InChIKey: HYNYWFRJHNNLJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane; trihexyl(tetradecyl)phosphanium
• IUPAC Traditional name: bistriflylimide anion; trihexyl(tetradecyl)phosphanium
• Synonyms: Tetradecyltrihexylphosphonium bis(trifluoromethylsulfonyl)amide; Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide; 十四烷基三己基膦双(三氟甲基磺酰基)酰胺; 三己基十四烷基膦双(三氟甲基磺酰基)酰胺

Database IDs

• CAS Number: 460092-03-9
• MDL Number: MFCD04117695
• PubChem SID: 162233599; 24873459
• PubChem CID: 11181836

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.685278
• LogD (pH = 7.4): 12.685278
• Log P: 12.685278
• Molar Refractivity: 156.7036 cm^3
• Polarizability: 62.90004 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 125.6 °F; 52 °C
• Density: 1.07 g/mL at 20 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2920 8/PG 2

Product Information

• Purity: ≥95.0%
• Impurities: ≤1.0 water (Karl Fischer)
• Linear Formula: [CH3(CH2)5]3P[N(SO2CF3)2](CH2)13CH3

DETAILS

Sigma Aldrich - 50971

Other Notes
Ionic liquid for copolymerisation1
Packaging
5, 50 g in poly bottle