900016

TBAF(9-Ph-9-fluorenol)₃

• Empirical Formula (Hill Notation): C₇₃H₇₈FNO₃
• Molecular Weight: 1036.40
• UNSPSC Code: 12352101
• PubChem Substance ID: 329769761
• NACRES: NA.22

Properties

• form: powder
• mp: 138-143 °C
• 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

Description

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

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: 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 Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable