bis(1-methyl-4-(propan-2-yl)benzene); bis(dichlororuthenium)

• ChemBase编号: 141398
• 分子式: C20H28Cl4Ru2
• 平均质量: 612.38832
• 单一同位素质量: 611.90320962
• SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl
• Canonical SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl
• InChI: InChI=1S/2C10H14.4ClH.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4
• InChIKey: LAXRNWSASWOFOT-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: bis(1-methyl-4-(propan-2-yl)benzene); bis(dichlororuthenium)
• IUPAC传统名: bis(cymene); bis(dichlororuthenium)
• 别名: 二氯(p-对伞花烃)钌(II)二聚体; 二氯(p-甲基异丙苯)钌(II) 二聚体; Bis(p-cymene)diruthenium(II) tetrachloride; Di-mu-chlorobis[(p-cymene)chlororuthenium(II)]; (p-Cymene)ruthenium(II) chloride dimer; Benzene, 1-methyl-4-(1-methylethyl)-, ruthenium complex; Dichloro(p-cymene)ruthenium(II) dimer

登记号

• CAS号: 52462-29-0
• EC号: 435-530-5
• MDL号: MFCD00064793
• PubChem SID: 162235632; 24861190
• PubChem CID: 10908223

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: 247.0-250.0 °C (dec.)(lit.)

安全信息

• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 22-36-52/53; 22-41-43
• 安全公开号: 24-26-37/39-60; 26-61
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319-H412; H318-H302-H317
• GHS警示性声明: P261-P280-P305+P351+P338-P302+P352-P321-P501A; P273-P305 + P351 + P338

产品相关信息

• 纯度: 97%; 98%
• 线性分子式: [Ru(p-cymene)Cl2]2

详细说明

Sigma Aldrich - 683213

包装
2 g in glass bottle
500 mg in glass bottle
Legal Information
Umicore 产品
Application
Hydrosilylation Catalysts
Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis
Cyclometalated ruthenium complexes with arylimines and nitrogen-containing heterocycles via C-H bond activation

Sigma Aldrich - 343706

包装
1, 5 g in glass bottle
Application
Hydrosilylation Catalysts
Cyclometalated ruthenium complexes with arylimines and nitrogen-containing heterocycles via C-H bond activation