900021

TBAF(pin)₂

• 동의어(들): 1-Butanaminium, N,N,N-tributyl-, fluoride, compd. with 2,3-dimethyl-2,3-butanediol (1:2:2)
• 실험식(Hill 표기법): C₂₈H₆₄FNO₄
• CAS Number: 1823217-44-2
• Molecular Weight: 497.81
• UNSPSC 코드: 12352101
• PubChem Substance ID: 329769764

속성

• 형태: powder
• mp: 162-167 °C (d)
• 작용기: 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

설명

일반 설명

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.

애플리케이션

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.

기타 정보

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

안전성 정보

• 픽토그램: GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H315,H319,H335
• 예방조치 성명서: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 표적 기관: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable