λ2-ruthenium(2+) ion {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane dichloride

• ChemBase编号: 287673
• 分子式: C44H32Cl2P2Ru
• 平均质量: 794.648402
• 单一同位素质量: 794.03997864
• SMILES: [Cl-].[Ru+2].[Cl-].c1(c2c3ccccc3ccc2P(c2ccccc2)c2ccccc2)c2ccccc2ccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.[Cl-].[Cl-].[Ru+2]
• InChI: InChI=1S/C44H32P2.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-32H;2*1H;/q;;;+2/p-2
• InChIKey: YEKBVMDAGDTOQB-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: λ^2-ruthenium(2+) ion {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane dichloride
• IUPAC传统名: λ^2-ruthenium(2+) ion binap dichloride
• 别名: Dichloro [(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphathyl] ruthenium(II)

登记号

• CAS号: 132071-87-5
• MDL号: MFCD01073794
• PubChem SID: 180673204
• PubChem CID: 10306088

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 11.8554
• LogD (pH = 7.4): 11.8554
• Log P: 11.8554
• 摩尔折射率: 195.2244 cm^3
• 极化性: 80.66715 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 95+%