tris(4-chlorophenyl)(methyl)phosphanium iodide

• ChemBase编号: 82256
• 分子式: C19H15Cl3IP
• 平均质量: 507.559631
• 单一同位素质量: 505.90216815
• SMILES: [P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C.[I-]
• Canonical SMILES: Clc1ccc(cc1)[P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C.[I-]
• InChI: InChI=1S/C19H15Cl3P.HI/c1-23(17-8-2-14(20)3-9-17,18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19;/h2-13H,1H3;1H/q+1;/p-1
• InChIKey: GDIPCBMBNUUGGJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tris(4-chlorophenyl)(methyl)phosphanium iodide
• IUPAC传统名: tris(4-chlorophenyl)(methyl)phosphanium iodide
• 别名: tris(4-chlorophenyl)(methyl)phosphonium iodide; METHYL-TRI(4-CHLOROPHENYL)PHOSPHONIUM IODIDE

登记号

• CAS号: 5068-14-4
• MDL号: MFCD00031644
• PubChem SID: 162069375
• PubChem CID: 2778284

理论计算性质

• Acid pKa: 18.50212
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.543703
• LogD (pH = 7.4): 6.543703
• Log P: 6.543703
• 摩尔折射率: 101.5864 cm^3
• 极化性: 39.94555 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

MP Biomedicals - 05221117

MP Biomedicals Rare Chemical collection