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

• ChemBase编号: 140889
• 分子式: C90H72Cl5NP4Ru2
• 平均质量: 1670.841424
• 单一同位素质量: 1669.11448423
• SMILES: CNC.c1ccc(cc1)P(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1.Cl.[Cl-].[Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2
• Canonical SMILES: [Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2.c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.CNC.Cl.[Cl-]
• InChI: InChI=1S/2C44H32P2.C2H7N.2ClH.3Cl.2Ru/c2*1-5-19-35(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;1-3-2;;;;;;;/h2*1-32H;3H,1-2H3;2*1H;;;;;/q;;;;;3*+1;2*-1/p-1
• InChIKey: FRRCROPKBKLCMQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine bis({1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane) chloride hydrochloride
• IUPAC传统名: bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide bis(binap) dimethylamine chloride hydrochloride
• 别名: 二甲基铵二氯三(μ-氯)二[(S)-(-)-2,2′-二(二苯基膦基)-1,1′-联萘基]二钌酸盐(II); 二甲铵二氯三(μ-氯)二[(R)-(+)-2,2′-二(二苯基膦基)-1,1′-联萘基]二钌酸盐(II); Dimethylammonium dichlorotri(μ-chloro)bis[(S)-(-)-2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]diruthenate(II); (S)-[(RuCl(BINAP))2(μ-Cl)3][NH2Me2]; Dimethylammonium dichlorotri(μ-chloro)bis[(R)-(+)-2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]diruthenate(II); (R)-[(RuCl(BINAP))2(μ-Cl)3[NH2Me2]

登记号

• CAS号: 199541-17-8; 199684-47-4
• MDL号: MFCD09753033
• PubChem SID: 162235127
• PubChem CID: 71310543

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: 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+[C88H64Cl5P4Ru2]-

详细说明

Sigma Aldrich - 693138

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 - 692433

包装
100, 500 mg in glass bottle
Legal Information
与 Takasago 联合销售，仅供研究之用。日本申请号 19960232650
Application
Takasago Ligands and Complexes for Asymmetric Reactions