difluorotriphenylsilanuide; tetrabutylazanium

• ChemBase ID: 150087
• Molecular Formular: C34H51F2NSi
• Molecular Mass: 539.8577464
• Monoisotopic Mass: 539.37588361
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.c1ccc(cc1)[Si-](c1ccccc1)(c1ccccc1)(F)F
• Canonical SMILES: F[Si-](c1ccccc1)(c1ccccc1)(c1ccccc1)F.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C18H15F2Si.C16H36N/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-15H;5-16H2,1-4H3/q-1;+1
• InChIKey: RQBKGJOQACIQDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: difluorotriphenylsilanuide; tetrabutylazanium
• IUPAC Traditional name: difluorotriphenylsilanuide; tetrabutylammonium
• Synonyms: TBAT; Tetrabutylammonium difluorotriphenylsilicate; 四丁基二氟三苯硅酸铵

Database IDs

• CAS Number: 163931-61-1
• MDL Number: MFCD00274218
• PubChem SID: 162244249; 24867661
• PubChem CID: 9893474

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 79.4255 cm^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 157-163 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34
• Safety Statements: 22-26-36/37/39-45
• 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 3261 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 97%
• Linear Formula: (CH3CH2CH2CH2)4N[(C6H5)3SiF2]

DETAILS

Sigma Aldrich - 441457

Packaging
5, 25 g in glass bottle
Application
A fluoride source for nucleophilic fluorination.1