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

• ChemBase编号: 142168
• 分子式: C28H18F17P
• 平均质量: 708.3891354
• 单一同位素质量: 708.08746695
• SMILES: c1ccc(cc1)P(c1ccccc1)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(c1ccccc1)c1ccccc1)F
• InChI: InChI=1S/C28H18F17P/c29-21(30,22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45)16-15-17-11-13-20(14-12-17)46(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2
• InChIKey: UPXCRVHPPXSSDG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]diphenylphosphane
• IUPAC传统名: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]diphenylphosphane
• 别名: 联苯基[4-(1H,1H,2H,2H-全氟癸基)苯基]膦; Diphenyl[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]phosphine; [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl] diphenylphosphine

登记号

• CAS号: 462996-04-9
• MDL号: MFCD03788352
• PubChem SID: 162236398; 24845812
• PubChem CID: 11422653

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 12.2793
• LogD (pH = 7.4): 12.2793
• Log P: 12.2793
• 摩尔折射率: 129.739 cm^3
• 极化性: 47.864857 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 81-85 °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: ≥99%
• Empirical Formula (Hill Notation): C28H18F17P

详细说明

Sigma Aldrich - 07026

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 和 6,673,539 的保护。