900021

TBAF(pin)₂

• 别名: 1-Butanaminium, N,N,N-tributyl-, fluoride, compd. with 2,3-dimethyl-2,3-butanediol (1:2:2)
• 经验公式（希尔记法）: C₂₈H₆₄FNO₄
• CAS号: 1823217-44-2
• 分子量: 497.81
• UNSPSC代码: 12352101
• PubChem化学物质编号: 329769764

属性

• 表单: powder
• mp: 162-167 °C (d)
• 官能团: amine; hydroxyl
• SMILES字符串: 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

说明

一般描述

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.[1]

应用

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.

其他说明

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

安全信息

• 象形图: GHS07
• 警示用语：: Warning
• 危险声明: H315,H319,H335
• 预防措施声明: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 危险分类: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 靶器官: Respiratory system
• 储存分类代码: 11 - Combustible Solids
• WGK: WGK 3
• 闪点(°F): Not applicable
• 闪点(°C): Not applicable