tetraethylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane

• ChemBase ID: 158077
• Molecular Formular: C10H20F6N2O4S2
• Molecular Mass: 410.3972192
• Monoisotopic Mass: 410.07686845
• SMILES: CC[N+](CC)(CC)CC.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.CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.C2F6NO4S2/c1-5-9(6-2,7-3)8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1
• InChIKey: PBVQLVFWBBDZNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
• IUPAC Traditional name: bistriflylimide anion; tetraethylammonium
• Synonyms: Bistrifluoromethanesulfonimide tetraethylammonium salt; Tetraethylammonium bistrifluoromethanesulfonimidate; 双三氟甲烷磺酰亚胺 四乙基铵盐; 四乙基铵双三氟甲烷磺酰亚胺

Database IDs

• CAS Number: 161401-26-9
• MDL Number: MFCD01863120
• Beilstein Number: 8243917
• PubChem SID: 24888867; 162252213
• PubChem CID: 16218644

CALCULATED PROPERTIES

• Acid pKa: -0.54394513
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0732763
• LogD (pH = 7.4): 3.0732765
• Log P: 2.1652188
• Molar Refractivity: 31.3346 cm^3
• Polarizability: 14.158181 Å^3
• Polar Surface Area: 77.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106-110 °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: (CH3CH2)4N[N(SO2CF3)2

DETAILS

Sigma Aldrich - 87267

General description
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