[(2-chlorophenyl)methyl]triphenylphosphanium chloride

• ChemBase编号: 82258
• 分子式: C25H21Cl2P
• 平均质量: 423.314001
• 单一同位素质量: 422.07579266
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1c(cccc1)Cl.[Cl-]
• Canonical SMILES: Clc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C25H21ClP.ClH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H/q+1;/p-1
• InChIKey: VRAAQIWOSHYDHE-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [(2-chlorophenyl)methyl]triphenylphosphanium chloride
• IUPAC传统名: [(2-chlorophenyl)methyl]triphenylphosphanium chloride
• 别名: (2-chlorobenzyl)(triphenyl)phosphonium chloride

登记号

• MDL号: MFCD00054629
• PubChem SID: 162069377
• PubChem CID: 2734112

理论计算性质

• Acid pKa: 16.445667
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.956309
• LogD (pH = 7.4): 6.956309
• Log P: 6.956309
• 摩尔折射率: 116.6386 cm^3
• 极化性: 45.8505 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