(rhodiomethylidyne)oxidanium bis(triphenylphosphane) chloride

• ChemBase编号: 303469
• 分子式: C37H30ClOP2Rh
• 平均质量: 690.939522
• 单一同位素质量: 690.05154552
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Rh]C#[O+].[Cl-]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Rh]C#[O+].[Cl-]
• InChI: InChI=1S/2C18H15P.CO.ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/q;;+1;;/p-1
• InChIKey: OKYCTNKBYGNTNR-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (rhodiomethylidyne)oxidanium bis(triphenylphosphane) chloride
• IUPAC传统名: (rhodiomethylidyne)oxidanium bis(triphenylphosphine) chloride
• 别名: 羰基氯双(三苯基磷基)铑(I); Carbonylbis(triphenylphosphine)rhodium(I) chloride; Carbonylchlorobis(triphenylphosphine)rhodium(I)

登记号

• CAS号: 13938-94-8
• EC号: 237-712-8
• MDL号: MFCD00044273

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• 摩尔折射率: 81.6229 cm^3
• 极化性: 32.34495 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Soluble in acetone, chloroform, ethanol
• 外观: Crystalline

安全信息

• 欧盟危险性物质标志: X
• 危险公开号: 20/21/22
• 安全公开号: 9-36/37-60
• TSCA收录: 否
• GHS危险品标识: GHS06
• GHS危险声明: H301-H311-H332
• GHS警示性声明: P261-P301+P310-P361-P302+P352-P405-P501A

产品相关信息

• 纯度: Rh 14.9% min

参考文献

• Catalyst for the decarbonylation of aldehydes and acyl halides: J. Am. Chem. Soc., 89, 2338 (1967); 90, 99 (1968); Tetrahedron Lett., 4713 (1966).
• Effective catalyst for the high-yield, stereoselective chloroesterification of terminal alkynes with alkyl chloroformates: J. Am. Chem. Soc., 120, 12365 (1998):