dichloropalladium; bis(tris[3-(heptadecafluorooctyl)phenyl]phosphane)

• ChemBase编号: 134425
• 分子式: C84H24Cl2F102P2Pd
• 平均质量: 3210.2000084
• 单一同位素质量: 3207.81364383
• SMILES: c1cc(cc(c1)P(c1cccc(c1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1cccc(c1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.c1cc(cc(c1)P(c1cccc(c1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1cccc(c1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl[Pd]Cl
• Canonical SMILES: FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(c1cccc(c1)P(c1cccc(c1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1cccc(c1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F.FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(c1cccc(c1)P(c1cccc(c1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1cccc(c1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F.Cl[Pd]Cl
• InChI: InChI=1S/2C42H12F51P.2ClH.Pd/c2*43-19(44,22(49,50)25(55,56)28(61,62)31(67,68)34(73,74)37(79,80)40(85,86)87)13-4-1-7-16(10-13)94(17-8-2-5-14(11-17)20(45,46)23(51,52)26(57,58)29(63,64)32(69,70)35(75,76)38(81,82)41(88,89)90)18-9-3-6-15(12-18)21(47,48)24(53,54)27(59,60)30(65,66)33(71,72)36(77,78)39(83,84)42(91,92)93;;;/h2*1-12H;2*1H;/q;;;;+2/p-2
• InChIKey: SEPYXRLJYOLXIJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: dichloropalladium; bis(tris[3-(heptadecafluorooctyl)phenyl]phosphane)
• IUPAC传统名: palladium chloride; bis(tris[3-(heptadecafluorooctyl)phenyl]phosphane)
• 别名: 二[三(3-(全氟辛基)苯基)膦]二氯化钯(II); 二[三(3-(十七氟辛基)苯基)膦]二氯化钯(II); Bis[tris(3-(perfluorooctyl)phenyl)phosphine]palladium(II) dichloride; Bis[tris(3-(heptadecafluorooctyl)phenyl)phosphine]palladium(II) dichloride

登记号

• CAS号: 326475-45-0
• MDL号: MFCD03791111
• PubChem SID: 162228701; 24889106
• PubChem CID: 11297927

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 25.2795
• LogD (pH = 7.4): 25.2795
• Log P: 25.2795
• 摩尔折射率: 197.572 cm^3
• 极化性: 74.222305 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 54
• 里宾斯基五规则: false

分子性质

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

产品相关信息

• 纯度: ≥95% (31P-NMR)
• Empirical Formula (Hill Notation): C84H24Cl2F102P2Pd

详细说明

Sigma Aldrich - 88508

Application
氟两相体系 (FBS) 中的 Stille 和 Suzuki 偶联反应催化剂
Other Notes
全氟标记 Pd 络合物，可作为氟两相体系中 Stille 偶联反应、1,2 钯催化 Suzuki 偶联反应的催化剂。3