tris(4-chlorophenyl)[(pentamethylphenyl)methyl]phosphanium chloride

• ChemBase编号: 80857
• 分子式: C30H29Cl4P
• 平均质量: 562.337021
• 单一同位素质量: 560.07609828
• SMILES: [P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)Cc1c(c(c(c(c1C)C)C)C)C.[Cl-]
• Canonical SMILES: Clc1ccc(cc1)[P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)Cc1c(C)c(C)c(c(c1C)C)C.[Cl-]
• InChI: InChI=1S/C30H29Cl3P.ClH/c1-19-20(2)22(4)30(23(5)21(19)3)18-34(27-12-6-24(31)7-13-27,28-14-8-25(32)9-15-28)29-16-10-26(33)11-17-29;/h6-17H,18H2,1-5H3;1H/q+1;/p-1
• InChIKey: VABOBKHMRXPXFB-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tris(4-chlorophenyl)[(pentamethylphenyl)methyl]phosphanium chloride
• IUPAC传统名: tris(4-chlorophenyl)[(pentamethylphenyl)methyl]phosphanium chloride
• 别名: tris(4-chlorophenyl)(2,3,4,5,6-pentamethylbenzyl)phosphonium chloride

登记号

• MDL号: MFCD01569949
• PubChem SID: 162067976
• PubChem CID: 2776668

理论计算性质

• Acid pKa: 15.346782
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 10.731505
• LogD (pH = 7.4): 10.731505
• Log P: 10.731505
• 摩尔折射率: 151.4542 cm^3
• 极化性: 58.365448 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false