palladium(2+) ion tetrakis(acetonitrile) bis(tetrafluoroboranuide)

• ChemBase编号: 151479
• 分子式: C8H12B2F8N4Pd
• 平均质量: 444.2369056
• 单一同位素质量: 444.01551896
• SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Pd+2]
• Canonical SMILES: F[B-](F)(F)F.F[B-](F)(F)F.CC#N.CC#N.CC#N.CC#N.[Pd+2]
• InChI: InChI=1S/4C2H3N.2BF4.Pd/c4*1-2-3;2*2-1(3,4)5;/h4*1H3;;;/q;;;;2*-1;+2
• InChIKey: YWMRPVUMBTVUEX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: palladium(2+) ion tetrakis(acetonitrile) bis(tetrafluoroboranuide)
• IUPAC传统名: palladium(2+) ion tetrakis(acetonitrile) ditetrafluoroborate
• 别名: 四氟硼酸钯(II)-四乙腈复合物; 四(乙腈)四氟硼酸钯(II); NSC 307191; Palladium(II) tetrafluoroborate tetraacetonitrile complex; Tetrakis(acetonitrile)palladium(II) tetrafluoroborate

登记号

• CAS号: 21797-13-7
• MDL号: MFCD00043297
• PubChem SID: 24860675; 162245632
• PubChem CID: 2734560

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• 摩尔折射率: 6.0052 cm^3
• 极化性: 3.1085358 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Soluble in water
• 外观: Powder
• 熔点: 230 °C (dec.)(lit.); 230°C dec.

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: UN2811
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 20; 20/21/22
• 安全公开号: 22-36/37/39-38; 9-36/37-60
• TSCA收录: 否
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H331-H302-H312; H332
• GHS警示性声明: P261-P280-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: Pd 23.9%
• 线性分子式: Pd(CH3CN)4(BF4)2

详细说明

Sigma Aldrich - 339768

Application
Catalyst used in cross coupling reaction for C-C, C-O, and C-N bond formation.
Application Guide for Palladium Catalyzed Cross-Coupling ReactionsReactant involved in:
• Reactions where it plays a role as the metal source due to weakly coordinated acetonitrile ligands1Precursor for:
• Synthesis of dendritic SCS-pincer palladium complexes2
• Palladium complexes of click ligands3,4
• Dipalladium catalysts for use in Heck cross-coupling5, Suzuki cross-coupling, and aldehyde olefination6
包装
1 g in glass bottle
250 mg in glass bottle