bis(1-methyl-4-(propan-2-yl)benzene); diiodocyclodirutheniodane-1,3-bis(ylium)-2,4-diuide

• ChemBase编号: 135558
• 分子式: C20H28I4Ru2
• 平均质量: 978.1942
• 单一同位素质量: 979.6456909
• SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.[Ru-]1([I+][Ru-]([I+]1)I)I
• Canonical SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.I[Ru-]1[I+][Ru-]([I+]1)I
• InChI: InChI=1S/2C10H14.2HI.2I.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;2*1H;;;;/q;;;;2*+1;;/p-2
• InChIKey: TUXCVBXSEXREST-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(1-methyl-4-(propan-2-yl)benzene); diiodocyclodirutheniodane-1,3-bis(ylium)-2,4-diuide
• IUPAC传统名: bis(cymene); diiodocyclodirutheniodane-1,3-bis(ylium)-2,4-diuide
• 别名: 二-μ-碘(对伞花烃)碘化钌(II); 二碘(对伞花烃)钌(II)二聚体; Di-μ-iodo(p-cymene)iodoruthenium(II); Diiodo(p-cymene)ruthenium(II) dimer

登记号

• CAS号: 90614-07-6
• MDL号: MFCD08064027
• PubChem SID: 24884843; 162229832
• PubChem CID: 71309313

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.7316763
• LogD (pH = 7.4): 3.7316763
• Log P: 3.7316763
• 摩尔折射率: 45.29 cm^3
• 极化性: 17.61825 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 234-236 °C

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 22-36-52/53
• 安全公开号: 26-61
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319-H412
• GHS警示性声明: P273-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• Empirical Formula (Hill Notation): C20H28I4Ru2

详细说明

Sigma Aldrich - 676241

Legal Information
Umicore 产品
Application
Catalyst in:
• Ruthenium-catalyzed hydrogenation1
• Preparation of Walphos-type ferrocenyl-aryl diphosphine ligands2
• Ruthenium-catalyzed synthesis reactions3
• Enantioselective hydrogenation of ketones and olefins4

Sigma Aldrich - 683205

包装
2 g in glass bottle
500 mg in glass bottle
Legal Information
Umicore 产品
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis
Catalyst in:
• Ruthenium-catalyzed hydrogenation
• Preparation of Walphos-type ferrocenyl-aryl diphosphine ligands
• Ruthenium-catalyzed synthesis reactions
• Enantioselective hydrogenation of ketones and olefins