tetraethylazanium trifluoromethanesulfonate

• ChemBase ID: 99175
• Molecular Formular: C9H20F3NO3S
• Molecular Mass: 279.3202096
• Monoisotopic Mass: 279.11159917
• SMILES: [N+](CC)(CC)(CC)CC.S(=O)(=O)(C(F)(F)F)[O-]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.CHF3O3S/c1-5-9(6-2,7-3)8-4;2-1(3,4)8(5,6)7/h5-8H2,1-4H3;(H,5,6,7)/q+1;/p-1
• InChIKey: PUZYNDBTWXJXKN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium trifluoromethanesulfonate
• IUPAC Traditional name: tetraethylammonium triflate
• Synonyms: Tetraethylammonium trifluoromethanesulphonate 98%; Trifluoromethanesulfonic acid tetraethylammonium salt; Tetraethylammonium trifluoromethanesulfonate; 三氟甲基磺酸 四乙基铵盐; 三氟甲基磺酸四乙基铵

Database IDs

• CAS Number: 35895-69-3
• EC Number: 252-781-4
• MDL Number: MFCD00042586
• Beilstein Number: 4057452
• PubChem SID: 24888417; 162085466
• PubChem CID: 2776566

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: acetonitrile: soluble0.1 g/mL, clear, colorless
• Melting Point: 161-163 °C

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (T); ≥99.0% (T)
• Grade: electrochemical grade; puriss.
• Impurities: ≤2% water
• Linear Formula: (C2H5)4N(CF3SO3)

DETAILS

Sigma Aldrich - 86651

Other Notes
Nonoxidizing supporting electrolyte1
Packaging
5 g in glass bottle

Sigma Aldrich - 86653

General description
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