900016
TBAF(9-Ph-9-fluorenol)3
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About This Item
Empirical Formula (Hill Notation):
C73H78FNO3
Molecular Weight:
1036.40
UNSPSC Code:
12352101
PubChem Substance ID:
NACRES:
NA.22
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
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Coordination diversity in hydrogen-bonded homoleptic fluoride?alcohol complexes modulates reactivity.
Engle KM, et al.
Chemical Science, 6(9), 5293-5302 (2015)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 900016-1G | 04061826655887 |