tris[4-(tridecafluorohexyl)phenyl]phosphane

• ChemBase编号: 141920
• 分子式: C36H12F39P
• 平均质量: 1216.3919658
• 单一同位素质量: 1216.00538759
• SMILES: c1cc(ccc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(c1ccc(cc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)C(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)(c1ccc(cc1)P(c1ccc(cc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C36H12F39P/c37-19(38,22(43,44)25(49,50)28(55,56)31(61,62)34(67,68)69)13-1-7-16(8-2-13)76(17-9-3-14(4-10-17)20(39,40)23(45,46)26(51,52)29(57,58)32(63,64)35(70,71)72)18-11-5-15(6-12-18)21(41,42)24(47,48)27(53,54)30(59,60)33(65,66)36(73,74)75/h1-12H
• InChIKey: PJQMFFDXUGYQTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris[4-(tridecafluorohexyl)phenyl]phosphane
• IUPAC传统名: tris[4-(tridecafluorohexyl)phenyl]phosphane
• 别名: 三[4-(氟代己基)苯基]磷化氢; Tris[4-(tridecafluorohexyl)phenyl]phosphine

登记号

• CAS号: 193197-68-1
• MDL号: MFCD03788375
• PubChem SID: 162236153; 24847450
• PubChem CID: 11967679

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 20.2725
• LogD (pH = 7.4): 20.2725
• Log P: 20.2725
• 摩尔折射率: 169.564 cm^3
• 极化性: 62.924984 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 54-62 °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: ≥90%
• Empirical Formula (Hill Notation): C36H12F39P

详细说明

Sigma Aldrich - 12118

包装
1 g in poly bottle
Legal Information
Fluorous Technologies, Inc. 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。