bis(triphenylphosphane) (acetyloxy)palladio acetate

• ChemBase编号: 149970
• 分子式: C40H36O4P2Pd
• 平均质量: 749.078962
• 单一同位素质量: 748.11236889
• SMILES: CC(=O)O[Pd]OC(=O)C.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.CC(=O)O[Pd]OC(=O)C
• InChI: InChI=1S/2C18H15P.2C2H4O2.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2(3)4;/h2*1-15H;2*1H3,(H,3,4);/q;;;;+2/p-2
• InChIKey: UVBXZOISXNZBLY-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(triphenylphosphane) (acetyloxy)palladio acetate
• IUPAC传统名: bis(triphenylphosphine) (acetyloxy)palladio acetate
• 别名: 二(三苯基膦)二乙酸钯(II); 二乙酰二(三苯基膦)钯(II); 三苯基膦醋酸钯; Pd(OAc)2(PPh3)2; Bis(acetato)bis(triphenylphosphine)palladium(II); Palladium(II)bis(triphenylphosphine) diacetate; Bis(triphenylphosphine)palladium(II) diacetate

登记号

• CAS号: 14588-08-0
• EC号: 238-628-4
• MDL号: MFCD00010013
• PubChem SID: 162244132; 24853498
• PubChem CID: 10865532

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: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 136 °C (dec.)(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥97.0% (Pd); 98%
• 级别: purum
• 线性分子式: [(C6H5)3P]2Pd(CH3COO)2

详细说明

Sigma Aldrich - 225452

Application
Catalyst for C-C bond formation via Sonogashira coupling, Negishi coupling, Heck coupling, and Suzuki coupling reaction.
包装
1, 10 g in glass bottle

Sigma Aldrich - 15254

Other Notes
综述1