benzyltrimethylazanium; hexafluoro-$l^{5}-phosphanuide

• ChemBase编号: 94678
• 分子式: C10H16F6NP
• 平均质量: 295.2049202
• 单一同位素质量: 295.09245547
• SMILES: [N+](C)(Cc1ccccc1)(C)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.C[N+](Cc1ccccc1)(C)C
• InChI: InChI=1S/C10H16N.F6P/c1-11(2,3)9-10-7-5-4-6-8-10;1-7(2,3,4,5)6/h4-8H,9H2,1-3H3;/q+1;-1
• InChIKey: YVHTWMLHAAQMDD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyltrimethylazanium; hexafluoro-$l^{5}-phosphanuide; benzyltrimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: benzyltrimethylazanium; hexafluoro-$l^{5}-phosphanuide; benzyltrimethylazanium hexafluorophosphate
• 别名: 苄基三甲基六氟磷酸铵; Benzyl trimethylammonium hexafluorophosphate 98%; N-BENZYL-N,N,N-TRIMETHYL AMMONIUM HEXAFLUORO PHOSPHATE; Benzyltrimethylammonium hexafluorophosphate

登记号

• CAS号: 6427-70-9
• MDL号: MFCD00031555
• PubChem SID: 162081332
• PubChem CID: 22939

理论计算性质

• Acid pKa: 18.822325
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.247694
• LogD (pH = 7.4): -2.247694
• Log P: -2.247694
• 摩尔折射率: 60.5143 cm^3
• 极化性: 19.203337 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: UN1759
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): III
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS危险声明: H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

产品相关信息

• 纯度: 98%

详细说明

MP Biomedicals - 05210351

MP Biomedicals Rare Chemical collection