bis(chlororutheniumylium); dichloromethane; ethanol; tetrakis(triphenylphosphane); bis(tris(1H-pyrazol-1-yl)boranuide)

• ChemBase编号: 141347
• 分子式: C93H86B2Cl4N12OP4Ru2
• 平均质量: 1877.226784
• 单一同位素质量: 1876.30252147
• SMILES: [B-](n1cccn1)(n1cccn1)n1cccn1.[B-](n1cccn1)(n1cccn1)n1cccn1.CCO.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.C(Cl)Cl.Cl[Ru+].Cl[Ru+]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1cnn(c1)[B-](n1cccn1)n1cccn1.c1cnn(c1)[B-](n1cccn1)n1cccn1.CCO.ClCCl.Cl[Ru+].Cl[Ru+]
• InChI: InChI=1S/4C18H15P.2C9H10BN6.C2H6O.CH2Cl2.2ClH.2Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-3;2-1-3;;;;/h4*1-15H;2*1-10H;3H,2H2,1H3;1H2;2*1H;;/q;;;;2*-1;;;;;2*+2/p-2
• InChIKey: NKYJXBCKEXBJNL-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(chlororutheniumylium); dichloromethane; ethanol; tetrakis(triphenylphosphane); bis(tris(1H-pyrazol-1-yl)boranuide)
• IUPAC传统名: bis(chlororutheniumylium); ethyl alcohol; methylene chloride; tetrakis(triphenylphosphine); bis(tris(pyrazol-1-yl)boranuide)
• 别名: 氯[氢化三(吡唑-1-基)硼酸]钌(II)-二氯甲烷/乙醇加合物; Chloro[hydrotris(pyrazol-1-yl)borato]bis(triphenylphosphine)ruthenium(II) - dichloromethane/ethanol adduct

登记号

• PubChem SID: 162235581; 24884899
• PubChem CID: 71310610

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• 摩尔折射率: 81.6229 cm^3
• 极化性: 32.34495 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3

产品相关信息

• 线性分子式: HB(C3H3N2)3RuCl · (C18H15P)2

详细说明

Sigma Aldrich - 667250

包装
1 g in glass bottle
250 mg in glass bottle