tetraethylazanium dihydrate fluoride

• ChemBase ID: 99171
• Molecular Formular: C8H24FNO2
• Molecular Mass: 185.2800632
• Monoisotopic Mass: 185.17910723
• SMILES: [N+](CC)(CC)(CC)CC.[F-].O.O
• Canonical SMILES: CC[N+](CC)(CC)CC.O.O.[F-]
• InChI: InChI=1S/C8H20N.FH.2H2O/c1-5-9(6-2,7-3)8-4;;;/h5-8H2,1-4H3;1H;2*1H2/q+1;;;/p-1
• InChIKey: HRTKQUHFGZFPPF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium dihydrate fluoride
• IUPAC Traditional name: tetraethylammonium dihydrate fluoride
• Synonyms: Tetraethylammonium fluoride dihydrate 98%; Tetraethylammonium fluoride dihydrate; Tetraethylammonium fluoride dihydrate; 四乙基氟化铵 二水合物

Database IDs

• CAS Number: 98330-04-2; 63123-01-3
• MDL Number: MFCD00149991
• Beilstein Number: 4152659
• PubChem SID: 24888707; 162085462
• PubChem CID: 2776564

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: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-121°C

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Hygroscopic/Store under Argon
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (NT); 95+%
• Linear Formula: (C2H5)4N(F) · 2H2O

DETAILS

Sigma Aldrich - 86615

Other Notes
Reagent for the cleavage of Si-C bonds.; Review of its use as a base in organic synthesis2
Packaging
5 g in glass bottle
Application

• Catalyst for oxidation, methylation, and deuteration reactions of fluorene1