tetraethylazanium trifluoroacetate

• ChemBase ID: 138885
• Molecular Formular: C10H20F3NO2
• Molecular Mass: 243.2665096
• Monoisotopic Mass: 243.14461355
• SMILES: CC[N+](CC)(CC)CC.C(=O)(C(F)(F)F)[O-]
• Canonical SMILES: [O-]C(=O)C(F)(F)F.CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.C2HF3O2/c1-5-9(6-2,7-3)8-4;3-2(4,5)1(6)7/h5-8H2,1-4H3;(H,6,7)/q+1;/p-1
• InChIKey: SBOOKGHQWGEWCB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium trifluoroacetate
• IUPAC Traditional name: tetraethylammonium trifluoroacetate
• Synonyms: Trifluoroacetic acid tetraethylammonium salt; Tetraethylammonium trifluoroacetate; 三氟乙酸 四乙基铵盐; 三氟乙酸四乙基铵

Database IDs

• CAS Number: 30093-29-9
• MDL Number: MFCD00192470
• Beilstein Number: 6254213
• PubChem SID: 24866312; 162233136
• PubChem CID: 16212720

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

• Melting Point: 74-76 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39
• 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 3263 8/PG 2

Product Information

• Purity: ≥98.0% (NT); 98%
• Grade: purum
• Linear Formula: (CH3CH2)4N(CF3COO)

DETAILS

Sigma Aldrich - 420115

Packaging
1 g in glass bottle