tetrabutylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane

• ChemBase ID: 158076
• Molecular Formular: C18H36F6N2O4S2
• Molecular Mass: 522.6098592
• Monoisotopic Mass: 522.20206896
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.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.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.C2F6NO4S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1
• InChIKey: CFAPFDTWIGBCQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
• IUPAC Traditional name: bistriflylimide anion; tetrabutylammonium
• Synonyms: Tetrabutylammonium bis-trifluoromethanesulfonimidate; 四丁基铵双三氟甲烷磺酰亚胺

Database IDs

• CAS Number: 210230-40-3
• MDL Number: MFCD01863113
• Beilstein Number: 8247973
• PubChem SID: 24888774; 162252212
• PubChem CID: 16218632

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 90-95 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: ≥99.0%; ≥99.0% (T)
• Grade: for electronic purposes
• Linear Formula: (CH3CH2CH2CH2)4N[N(SO2CF3)2

DETAILS

Sigma Aldrich - 86838

General description
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Other Notes
Novel type of electrolyte, used e.g. in electrical double layer capacitors1