tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane

• ChemBase编号: 158133
• 分子式: C48H24F51P
• 平均质量: 1600.5964842
• 单一同位素质量: 1600.08012662
• SMILES: c1cc(ccc1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1ccc(cc1)P(c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)CCC(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
• InChI: InChI=1S/C48H24F51P/c49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)16-13-19-1-7-22(8-2-19)100(23-9-3-20(4-10-23)14-17-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-11-5-21(6-12-24)15-18-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99/h1-12H,13-18H2
• InChIKey: MTUBRWIMDWTZST-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
• IUPAC传统名: tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
• 别名: 三[4-(1H,1H,2H,2H-全氟癸基)苯基]膦; 三[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)苯基]膦化氢; Tris[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]phosphine; Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphine

登记号

• CAS号: 325459-92-5
• MDL号: MFCD03788383
• Beilstein号: 8824708
• PubChem SID: 162252269; 24888284
• PubChem CID: 4599364

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 26.6247
• LogD (pH = 7.4): 26.6247
• Log P: 26.6247
• 摩尔折射率: 225.9712 cm^3
• 极化性: 83.9591 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 33
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 95-98 °C

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: >97.0% (GC)
• Empirical Formula (Hill Notation): C48H24F51P

详细说明

Sigma Aldrich - 84928

Other Notes
包含最多 15 mol% 的氧膦 (31P-NMR)。用于制备 Bannwarth 催化剂（Stille 和 Suzuki 偶合反应催化剂）的膦配体1,2
包装
1, 5 g in glass bottle