tetraethylazanium; tetrafluoroboranuide

• ChemBase编号: 99173
• 分子式: C8H20BF4N
• 平均质量: 217.0557128
• 单一同位素质量: 217.16249293
• SMILES: [N+](CC)(CC)(CC)CC.[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1
• InChIKey: XJRAKUDXACGCHA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetraethylazanium; tetrafluoroboranuide
• IUPAC传统名: tetraethylammonium tetrafluoroborate
• 别名: 四氟硼酸四乙胺; 四乙基四氟硼酸铵; Tetraethylammonium tetrafluoroborate 99%; Tetraethylammonium tetrafluoroborate; Tetraethylammonium tetrafluoroborate

登记号

• CAS号: 429-06-1
• EC号: 207-055-1
• MDL号: MFCD00011827
• Beilstein号: 3917638
• PubChem SID: 24888709; 24854534; 162085464
• PubChem CID: 2724277

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• 摩尔折射率: 54.8961 cm^3
• 极化性: 16.958946 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: acetonitrile: slightly soluble; acetonitrile: soluble0.1 g/mL, clear, colorless
• 外观: solid
• 熔点: >300°C; ≥300 °C(lit.); 370-380°C dec.

安全信息

• 保存注意事项: Harmful/Irritant/Hygroscopic/Store under Argon; Hygroscopic
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 20/21/22-36/37/38
• 安全公开号: 26-36; 9-26-36/37-60
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312-H315-H319-H332-H335; H331-H302-H312-H315-H319-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (T); ≥99.0%; ≥99.0% (T); 95+%; 99%
• 级别: for electrochemical analysis; purum
• 线性分子式: (C2H5)4N(BF4)

详细说明

Apollo Scientific Ltd - PC6667

Useful electrolyte for electro-organic synthesis, e.g. thehydroxylation by anodic oxidation of aromatic ketones, acids and esters in trifluoroacetic acid.

Sigma Aldrich - 242144

包装
5, 25 g in glass bottle

Sigma Aldrich - 86618

General description
请访问 传感器应用门户网站 了解更多信息。
Other Notes
支持电解质1,2

参考文献

• Electrolyte for electro-organic synthesis, e.g. in the o- and p- hydroxylation of simple aromatic ketones, acids and esters by anodic oxidation in TFA: J. Chem. Soc., Chem. Commun., 262 (1975). In CH₃CN, the products are the corresponding o- and p-acetamido compounds (cf Ritter reaction).
• Use as a supporting electrolyte and F^- source for electrochemical fluorination has also been reported: J. Electroanal. Chem., 43, 318 (1973).