phenylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphane

• ChemBase编号: 142169
• 分子式: C34H21F26P
• 平均质量: 954.4627842
• 单一同位素质量: 954.09657102
• SMILES: c1ccc(cc1)P(c1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1ccc(cc1)P(c1ccc(cc1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1)F
• InChI: InChI=1S/C34H21F26P/c35-23(36,25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)57)16-14-18-6-10-21(11-7-18)61(20-4-2-1-3-5-20)22-12-8-19(9-13-22)15-17-24(37,38)26(41,42)28(45,46)30(49,50)32(53,54)34(58,59)60/h1-13H,14-17H2
• InChIKey: GNCTUKGIBHXUPH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: phenylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphane
• IUPAC传统名: phenylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphane
• 别名: 双[4-(1H,1H,2H,2H-全氟辛基)苯基]苯基膦; 苯基双[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)苯基]膦; Bis[4-(1H,1H,2H,2H-perfluorooctyl)phenyl]phenylphosphine; Phenylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphine

登记号

• CAS号: 290827-94-0
• MDL号: MFCD03788364
• PubChem SID: 24851934; 162236399
• PubChem CID: 11803984

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 16.114
• LogD (pH = 7.4): 16.114
• Log P: 16.114
• 摩尔折射率: 159.1831 cm^3
• 极化性: 58.40791 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 46-51 °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: ≥90.0%
• Empirical Formula (Hill Notation): C34H21F26P

详细说明

Sigma Aldrich - 19971

包装
1, 5 g in poly bottle
Legal Information
Fluorous Technologies, Inc. 的产品。该化合物的使用受美国专利 6,156,896、5,859,247、5,777,121 与 6,673,539 的保护。