nonasodium tris[tris(4-sulfonatophenyl)-λ5-phosphanyl]rhodiumylium chloride

• ChemBase编号: 179572
• 分子式: C54H36ClNa9O27P3RhS9
• 平均质量: 1843.620153
• 单一同位素质量: 1841.59659999
• SMILES: P(c1ccc(cc1)S(=O)(=O)[O-])(c1ccc(cc1)S(=O)(=O)[O-])(c1ccc(cc1)S(=O)(=O)[O-])[Rh+](P(c1ccc(cc1)S(=O)(=O)[O-])(c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-])P(c1ccc(cc1)S(=O)(=O)[O-])(c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-].[Cl-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)c1ccc(cc1)P([Rh+](P(c1ccc(cc1)S(=O)(=O)[O-])(c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-])P(c1ccc(cc1)S(=O)(=O)[O-])(c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-])(c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cl-]
• InChI: InChI=1S/3C18H15O9PS3.ClH.9Na.Rh/c3*19-29(20,21)16-7-1-13(2-8-16)28(14-3-9-17(10-4-14)30(22,23)24)15-5-11-18(12-6-15)31(25,26)27;;;;;;;;;;;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);1H;;;;;;;;;;/q;;;;9*+1;-2/p-7
• InChIKey: YEEVUPYBSYNZIJ-UHFFFAOYSA-G

名称和登记号

名称

• IUPAC标准名: nonasodium tris[tris(4-sulfonatophenyl)-λ^5-phosphanyl]rhodiumylium chloride
• IUPAC传统名: nonasodium tris[tris(4-sulfonatophenyl)-λ^5-phosphanyl]rhodiumylium chloride
• 别名: Wilkinson's Catalyst Sulfate Sodium Salt; Chlorotris(triphenylphosphine)rhodium Sulfate Sodium Salt; Rhodium tris(triphenylphosphine) Chloride Sulfate Sodium Salt; Tris(triphenylphosphine)chlororhodium Sulfate Sodium Salt; Tris(triphenylphosphine)rhodium(I) Chloride Sulfate Sodium Salt

登记号

• PubChem SID: 164235482
• PubChem CID: 71752993

理论计算性质

• Acid pKa: -3.1825404
• 质子受体: 27
• 质子供体: 0
• LogD (pH = 5.5): -14.552382
• LogD (pH = 7.4): -14.5524
• Log P: 3.558
• 摩尔折射率: 332.7759 cm^3
• 极化性: 143.20993 Å^3
• 极化表面积: 514.8 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: Dark Orange Solid
• 熔点: >300°C (dec.)

安全信息

• 保存条件: Amber Vial, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - W498800

Hydrogen detectable color indicator for screening of microorganisms. Coordination compound.

参考文献

• Borowski, A.F., et al.: Nouveau J. de Chimie, 2,137 (1978)
• Takakuwa, S., et al.: Arch. Microbiol., 136, 20 (1978)