900016

TBAF(9-Ph-9-fluorenol)₃

• Empirický vzorec (Hillův zápis): C₇₃H₇₈FNO₃
• Molekulová hmotnost: 1036.40
• UNSPSC Code: 12352101
• PubChem Substance ID: 329769761
• NACRES: NA.22

Vlastnosti

• form: powder
• mp: 138-143 °C
• functional group: amine; hydroxyl; phenyl
• SMILES string: CCCC[N+](CCCC)(CCCC)CCCC.OC1(C2=CC=CC=C2)C3=C(C=CC=C3)C4=C1C=CC=C4.OC5(C6=CC=CC=C6)C7=C(C=CC=C7)C8=C5C=CC=C8.OC9(C%10=CC=CC=C%10)C%11=C(C=CC=C%11)C%12=C9C=CC=C%12.[F-]
• InChI: 1S/3C19H14O.C16H36N.FH/c3*20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h3*1-13,20H;5-16H2,1-4H3;1H/q;;;+1;/p-1
• InChI key: HTKORNSKGASQCX-UHFFFAOYSA-M

Popis

General description

TBAF(9-Ph-9-fluorenol)₃ is a fluoride–alcohol complex. It is formed by reacting 9-phenylfluoren-9-ol with tetrabutylammonium fluoride trihydrate (TBAF(H₂O)₃). The geometric structure and bonding of TBAF(9-Ph-9-fluorenol)₃ have been investigated.

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.

Legal Information

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