tetrabutylazanium fluoride hydrofluoride

• ChemBase ID: 152203
• Molecular Formular: C16H37F2N
• Molecular Mass: 281.4684864
• Monoisotopic Mass: 281.28940663
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.F.[F-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.F.[F-]
• InChI: InChI=1S/C16H36N.2FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
• InChIKey: ZHBDKVWQJKYIFF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium fluoride hydrofluoride
• IUPAC Traditional name: tetrabutylammonium fluoride hydrofluoride
• Synonyms: TBABF; Tetrabutylammonium difluoride; Tetrabutylammonium bifluoride; Tetrabutylammonium hydrogen difluoride solution; 四丁基二氟化铵; 四正丁基二氟化铵氢氟酸盐 溶液

Database IDs

• CAS Number: 23868-34-0
• MDL Number: MFCD00077877
• Beilstein Number: 4729304
• PubChem SID: 24888785; 24887099; 162246348
• PubChem CID: 10891295

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

• Flash Point: <10 °C; <50 °F
• Refractive Index: n20/D 1.442

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2922; 2924
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2
• Risk Statements: 11-20/21/22-34; 34-40
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314; H314-H351
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2; UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~50% in acetonitrile; ~50% in methylene chloride (T)
• Grade: technical
• Impurities: ~5% tetrabutylammonium chloride; ≤1% water
• Linear Formula: (CH3CH2CH2CH2)4N(HF2)

DETAILS

Sigma Aldrich - 77004

Other Notes
Efficient fluorinating agent5,6
Packaging
100 mL in poly bottle
Application

• Used as an etchant for silica films1Reactant for:
• Nucleophilic fluorination2
• Ring-opening fluorination reaction3
• Substitution reactions4

Sigma Aldrich - 86856

Application

• Used as an etchant for silica films1Reactant for:
• Nucleophilic fluorination2
• Ring-opening fluorination reaction3
• Substitution reactions4