triphenyl[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride

• ChemBase编号: 126170
• 分子式: C36H30ClNP2
• 平均质量: 574.030622
• 单一同位素质量: 573.15420091
• SMILES: [Cl-].N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1
• InChIKey: LVRCYPYRKNAAMX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: triphenyl[(triphenyl-λ^5-phosphanylidene)amino]phosphanium chloride
• IUPAC传统名: triphenyl[(triphenyl-λ^5-phosphanylidene)amino]phosphanium chloride
• 别名: PPN chloride; Bis(triphenylphosphine)iminium chloride; Bis(triphenylphosphoranylidene)iminium chloride; Bis(triphenylphosphoranylidene)ammonium chloride; Hexaphenyldiphosphazenium chloride; Selectophore; Bis(triphenylphosphine)iminium chloride

登记号

• CAS号: 21050-13-5
• PubChem SID: 162220511
• PubChem CID: 3036656
• Chemspider ID: 2300634
• 维基百科标题: Bis(triphenylphosphine)iminium_chloride

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 10.785056
• LogD (pH = 7.4): 10.785297
• Log P: 10.7853
• 摩尔折射率: 167.96 cm^3
• 极化性: 65.30522 Å^3
• 极化表面积: 12.36 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: moderate in water
• 外观: colourless solid
• 熔点: 260-2 °C
• 密度: ?? g/cm^3, solid

安全信息

• 危险公开号: 36/37/38
• 安全公开号: 26-36