tris[4-(heptadecafluorooctyl)phenyl]phosphane

• ChemBase编号: 140028
• 分子式: C42H12F51P
• 平均质量: 1516.4370042
• 单一同位素质量: 1515.98622623
• SMILES: c1cc(ccc1C(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)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)c1ccc(cc1)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
• 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)(c1ccc(cc1)P(c1ccc(cc1)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)c1ccc(cc1)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
• InChI: InChI=1S/C42H12F51P/c43-19(44,22(49,50)25(55,56)28(61,62)31(67,68)34(73,74)37(79,80)40(85,86)87)13-1-7-16(8-2-13)94(17-9-3-14(4-10-17)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)18-11-5-15(6-12-18)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/h1-12H
• InChIKey: RTNPUWLBWXIECX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris[4-(heptadecafluorooctyl)phenyl]phosphane
• IUPAC传统名: tris[4-(heptadecafluorooctyl)phenyl]phosphane
• 别名: 三[4-(全氟辛基)苯基]膦; 三[4-(十七氟辛基)苯基]膦; Tris[4-(perfluorooctyl)phenyl]phosphine; Tris[4-(heptadecafluorooctyl)phenyl]phosphine

登记号

• CAS号: 284472-92-0
• MDL号: MFCD03788382
• PubChem SID: 162234273; 24846006
• PubChem CID: 3705435

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: 74.22216 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 27
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 53-59 °C
• 闪点: >110 °C; >230 °F

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36/37
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥85%
• Empirical Formula (Hill Notation): C42H12F51P

详细说明

Sigma Aldrich - 07086

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。
Application
Reactant for synthesis of:
• Triarylphosphine selenides1
• Perfluoroalkylated arylphosphines2Reactant for:
• Suzuki coupling3
• Stille coupling