tetrabutylazanium trihydrate fluoride

• ChemBase编号: 9902
• 分子式: C16H42FNO3
• 平均质量: 315.5079832
• 单一同位素质量: 315.31487243
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[F-].O.O.O
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
• InChI: InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1
• InChIKey: VEPTXBCIDSFGBF-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tetrabutylazanium trihydrate fluoride
• IUPAC传统名: tetrabutylammonium trihydrate fluoride; tetrabutylammonium ion trihydrate fluoride
• 别名: 四丁基氟化铵 三水合物; Tetra-n-butylammonium fluoride trihydrate; Tetrakis(but-1-yl)ammonium fluoride trihydrate 97%; Tetrabutylammonium fluoride trihydrate; TBAF; Tetrabutylammonium fluoride trihydrate

登记号

• CAS号: 87749-50-6
• EC号: 207-057-2
• MDL号: MFCD00149981
• Beilstein号: 3761900
• PubChem SID: 160973209; 24888776; 24888796
• PubChem CID: 11726816

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• 摩尔折射率: 91.3961 cm^3
• 极化性: 31.734425 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 54-63°C; 62-63 °C(lit.); 62-63°C

安全信息

• 保存注意事项: Corrosive/Hygroscopic/Store under Argon; IRRITANT, IRRITANT-HARMFUL
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 1759
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: true
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 3

产品相关信息

• 纯度: ≥90% (T); ≥97.0% (NT); 95+%; 97%
• 级别: technical
• 线性分子式: [CH3(CH2)3]4NF · 3H2O

详细说明

Apollo Scientific Ltd - PC6633T

Technical bulletin available

Sigma Aldrich - 86872

Other Notes
用于裂解硅基醚和其他硅基保护基团的试剂4；多种硅化合物反应的催化剂5,6；在有机合成中用作碱7；无水 TBAF 的不稳定性8
包装
10, 50, 250 g in poly bottle
Application
Reactant for:Preparation of deprotecting agents in preparation of cellulose derivatives1Synthesis of lipophilic peptides for DNA transfections in vivo2Dehydrobromination reactions3

Sigma Aldrich - 86843

Application
Reactant for:Preparation of deprotecting agents in preparation of cellulose derivatives1Synthesis of lipophilic peptides for DNA transfections in vivo2Dehydrobromination reactions3