bis((1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane) bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine chloride hydrochloride

• ChemBase编号: 141014
• 分子式: C98H88Cl5NP4Ru2
• 平均质量: 1783.054064
• 单一同位素质量: 1781.23968474
• SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccc(cc1)C)c1ccc(cc1)C.Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccc(cc1)C)c1ccc(cc1)C.CNC.Cl.[Cl-].[Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2
• Canonical SMILES: [Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2.Cc1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccc(cc1)C)c1ccc(cc1)C)cccc2)c1ccc(cc1)C.Cc1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccc(cc1)C)c1ccc(cc1)C)cccc2)c1ccc(cc1)C.CNC.Cl.[Cl-]
• InChI: InChI=1S/2C48H40P2.C2H7N.2ClH.3Cl.2Ru/c2*1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-3-2;;;;;;;/h2*5-32H,1-4H3;3H,1-2H3;2*1H;;;;;/q;;;;;3*+1;2*-1/p-1
• InChIKey: QGBBTZBFEYSGDQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: bis((1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane) bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine chloride hydrochloride
• IUPAC传统名: bis((1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane) bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine chloride hydrochloride
• 别名: 二甲铵二氯三(μ-氯)双[(R)-(+)-2,2′-双(二-对甲苯基膦)-1,1′-联萘基]二钌酸盐(II); 二甲铵二氯三(μ-氯)双[(S)-(-)-2,2′-双(二-对甲苯基膦)-1,1′-联萘基]二钌酸盐(II); (S)-[(RuCl (T-BINAP))2(μ-Cl)3[NH2Me2]; Dimethylammonium dichlorotri(μ-chloro)bis[(R)-(+)-2,2′-bis(di-p-tolylphosphino)-1,1′-binaphthyl]diruthenate(II); (R)-[(RuCl(T-BINAP))2(μ-Cl)3[NH2Me2]; Dimethylammonium dichlorotri(μ-chloro)bis[(S)-(-)-2,2′-bis(di-p-tolylphosphino)-1,1′-binaphthyl]diruthenate(II); (S)-[(RuCl(T-BINAP))2(μ-Cl)3[NH2Me2]

登记号

• CAS号: 309735-86-2; 749935-02-2
• MDL号: MFCD09753034
• PubChem SID: 162235250
• PubChem CID: 71310554

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 13.7242
• LogD (pH = 7.4): 13.7242
• Log P: 13.7242
• 摩尔折射率: 215.3892 cm^3
• 极化性: 87.70807 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 1325
• 德国WGK号: 3
• 联合国危险货物等级: 4.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 11
• GHS危险品标识: GHS02
• GHS警示词: Warning
• GHS危险声明: H228
• GHS警示性声明: P210
• 个人保护装置: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 3
• 保存温度: 2-8°C

产品相关信息

• 线性分子式: (CH3)2NH2+[C96H80Cl5P4Ru2]-

详细说明

Sigma Aldrich - 692441

包装
100, 500 mg in glass bottle
Legal Information
与 Takasago 合作销售，仅用于研究目的。日本申请号 19960232650
Application
Takasago Ligands and Complexes for Asymmetric Reactions

Sigma Aldrich - 693146

包装
100, 500 mg in glass bottle
Legal Information
与 Takasago 合作销售，仅用于研究目的。日本申请号 19960232650
Application
Takasago Ligands and Complexes for Asymmetric Reactions