900021

TBAF(pin)₂

• Synonyma: 1-Butanaminium, N,N,N-tributyl-, fluoride, compd. with 2,3-dimethyl-2,3-butanediol (1:2:2)
• Empirický vzorec (Hillův zápis): C₂₈H₆₄FNO₄
• Číslo CAS: 1823217-44-2
• Molekulová hmotnost: 497.81
• UNSPSC Code: 12352101
• PubChem Substance ID: 329769764

Vlastnosti

• form: powder
• mp: 162-167 °C (d)
• SMILES string: OC(C)(C)C(C)(C)O.OC(C)(C)C(C)(C)O.CCCC[N+](CCCC)(CCCC)CCCC.[F-]
• InChI: 1S/C16H36N.2C6H14O2.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-5(2,7)6(3,4)8;/h5-16H2,1-4H3;2*7-8H,1-4H3;1H/q+1;;;/p-1
• Inchi Key: CVEUWEZBMVLEKR-UHFFFAOYSA-M

Popis

General description

TBAF(pin)₂ is a fluoride–alcohol complex with coordination number four. It can be obtained by reacting pinacol (pin) with tetrabutylammonium fluoride trihydrate (TBAF(H₂O)₃). The geometric structure and bonding of TBAF(pin)₂ have been studied.

Application

Nucleophilic fluorinating reagent is a more convenient crystalline solid for handling and storage compared to tetrabutylammonium fluoride hydrate (Aldrich 241512). As reported by Engle and Gouverneur, these solids display comparable reactivity on similar substrates.

Other Notes

Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity

Bezpečnostní informace

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable