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900021

TBAF(pin)2

别名:

1-Butanaminium, N,N,N-tributyl-, fluoride, compd. with 2,3-dimethyl-2,3-butanediol (1:2:2)

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关于此项目

经验公式（希尔记法）:
C28H64FNO4
化学文摘社编号:
1823217-44-2
分子量:
497.81
PubChem Substance ID:
329769764
UNSPSC Code:
12352101
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form

powder

mp

162-167 °C (d)

functional group

amine, hydroxyl

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

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

法规信息

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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)

全球贸易项目编号

货号GTIN
900021-1G04061826655894