({6-[(di-tert-butylphosphanyl)methyl]pyridin-2-yl}methyl)diethylamine; chloro(hydrido)ruthenium; methanidylidyneoxidanium

• ChemBase编号: 144192
• 分子式: C20H35ClN2OPRu
• 平均质量: 487.001461
• 单一同位素质量: 487.12190206
• SMILES: CCN(CC)Cc1cccc(n1)CP(C(C)(C)C)C(C)(C)C.[C-]#[O+].Cl[Ru]
• Canonical SMILES: CCN(Cc1cccc(n1)CP(C(C)(C)C)C(C)(C)C)CC.[C-]#[O+].Cl[Ru]
• InChI: InChI=1S/C19H35N2P.CO.ClH.Ru/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8;1-2;;/h11-13H,9-10,14-15H2,1-8H3;;1H;/q;;;+1/p-1
• InChIKey: ZGJCOIFATCBDOT-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: ({6-[(di-tert-butylphosphanyl)methyl]pyridin-2-yl}methyl)diethylamine; chloro(hydrido)ruthenium; methanidylidyneoxidanium
• IUPAC传统名: ({6-[(di-tert-butylphosphanyl)methyl]pyridin-2-yl}methyl)diethylamine; carbon monoxide; chloro(hydrido)ruthenium
• 别名: Milstein Catalyst Precursor; [2-(Di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine]ruthenium(II) chlorocarbonyl hydride; [2-(Di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine]carbonylchlorohydridoruthenium(II)

登记号

• CAS号: 863971-62-4
• MDL号: MFCD16038117
• PubChem SID: 162238409
• PubChem CID: 71311042

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.27179825
• LogD (pH = 7.4): 2.186017
• Log P: 3.0971
• 摩尔折射率: 104.1626 cm^3
• 极化性: 39.49843 Å^3
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338
• 欧盟补充危害声明: May form explosive peroxides.

产品相关信息

• Empirical Formula (Hill Notation): C20H36ClN2OPRu

详细说明

Sigma Aldrich - 735809

General description
May contain up to 10% acetone and/or THF.
包装
100, 500 mg in glass bottle