(2,4-dimethylphenyl)triphenylphosphanium bromide

• ChemBase编号: 112266
• 分子式: C26H24BrP
• 平均质量: 447.346521
• 单一同位素质量: 446.0798994
• SMILES: [Br-].Cc1ccc(c(C)c1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C26H24P.BrH/c1-21-18-19-26(22(2)20-21)27(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-20H,1-2H3;1H/q+1;/p-1
• InChIKey: LPRMFDHPGGLPFB-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (2,4-dimethylphenyl)triphenylphosphanium bromide
• IUPAC传统名: (2,4-dimethylphenyl)triphenylphosphanium bromide
• 别名: m-XYLYL TRIPHENYL PHOSPHONIUM BROMIDE

登记号

• PubChem SID: 162106682
• PubChem CID: 25022286

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.1050363
• LogD (pH = 7.4): 7.1050363
• Log P: 7.1050363
• 摩尔折射率: 117.1796 cm^3
• 极化性: 45.72904 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05223220

MP Biomedicals Rare Chemical collection