tetrabutylazanium trihydrate fluoride

• ChemBase ID: 9902
• Molecular Formular: C16H42FNO3
• Molecular Mass: 315.5079832
• Monoisotopic Mass: 315.31487243
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[F-].O.O.O
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
• InChI: InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1
• InChIKey: VEPTXBCIDSFGBF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium trihydrate fluoride
• IUPAC Traditional name: tetrabutylammonium trihydrate fluoride; tetrabutylammonium ion trihydrate fluoride
• Synonyms: Tetra-n-butylammonium fluoride trihydrate; Tetrakis(but-1-yl)ammonium fluoride trihydrate 97%; Tetrabutylammonium fluoride trihydrate; TBAF; Tetrabutylammonium fluoride trihydrate; 四丁基氟化铵 三水合物

Database IDs

• CAS Number: 87749-50-6
• EC Number: 207-057-2
• MDL Number: MFCD00149981
• Beilstein Number: 3761900
• PubChem SID: 160973209; 24888776; 24888796
• PubChem CID: 11726816

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: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-63°C; 62-63 °C(lit.); 62-63°C

Safety Information

• Storage Warning: Corrosive/Hygroscopic/Store under Argon; IRRITANT, IRRITANT-HARMFUL
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: true
• 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 1759 8/PG 3

Product Information

• Purity: ≥90% (T); ≥97.0% (NT); 95+%; 97%
• Grade: technical
• Linear Formula: [CH3(CH2)3]4NF · 3H2O

DETAILS

Apollo Scientific Ltd - PC6633T

Technical bulletin available

Sigma Aldrich - 86872

Other Notes
Reagent for the cleavage of silyl ethers and other silyl protecting groups4; Catalyst for various reactions with silicon compounds5,6; Use as a base in organic synthesis7; Instability of anhydrous TBAF 8
Packaging
10, 50, 250 g in poly bottle
Application
Reactant for:Preparation of deprotecting agents in preparation of cellulose derivatives1Synthesis of lipophilic peptides for DNA transfections in vivo2Dehydrobromination reactions3

Sigma Aldrich - 86843

Application
Reactant for:Preparation of deprotecting agents in preparation of cellulose derivatives1Synthesis of lipophilic peptides for DNA transfections in vivo2Dehydrobromination reactions3