(2H3)methyltris(4-methylphenyl)phosphanium iodide

• ChemBase编号: 174426
• 分子式: C22H24IP
• 平均质量: 446.304191
• 单一同位素质量: 446.0660354
• SMILES: [P+](c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)C.[I-]
• Canonical SMILES: Cc1ccc(cc1)[P+](c1ccc(cc1)C)(c1ccc(cc1)C)C.[I-]
• InChI: InChI=1S/C22H24P.HI/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22;/h5-16H,1-4H3;1H/q+1;/p-1
• InChIKey: SUQPXWWSBRNXEE-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (^2H₃)methyltris(4-methylphenyl)phosphanium iodide
• IUPAC传统名: (^2H₃)methyltris(4-methylphenyl)phosphanium iodide
• 别名: (Methyl)tris(4-methylphenyl)phosphonium Iodide-d3; (Methyl)tris(p-tolyl)phosphonium Iodide-d3; (Methyl)tri-4-tolylphosphonium Iodide-d3

登记号

• PubChem SID: 164230336
• PubChem CID: 46782333

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.271833
• LogD (pH = 7.4): 6.271833
• Log P: 6.271833
• 摩尔折射率: 102.2956 cm^3
• 极化性: 39.73517 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - M331252

Wittig reagent