tris(pentafluorophenyl)phosphane

• ChemBase编号: 99854
• 分子式: C18F15P
• 平均质量: 532.142409
• 单一同位素质量: 531.94980993
• SMILES: P(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Canonical SMILES: Fc1c(P(c2c(F)c(F)c(c(c2F)F)F)c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C18F15P/c19-1-4(22)10(28)16(11(29)5(1)23)34(17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33
• InChIKey: FQLSDFNKTNBQLC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(pentafluorophenyl)phosphane
• IUPAC传统名: tris(pentafluorophenyl)phosphane
• 别名: 三(五氟苯基)膦; Tris(pentafluorophenyl)phosphine 97%; Tris(perfluorophenyl)phosphine; Tris(pentafluorophenyl)phosphine

登记号

• CAS号: 1259-35-4
• EC号: 215-021-2
• MDL号: MFCD00079654
• Beilstein号: 773243
• PubChem SID: 24857475; 162086101
• PubChem CID: 102076

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.1991
• LogD (pH = 7.4): 7.1991
• Log P: 7.1991
• 摩尔折射率: 84.8689 cm^3
• 极化性: 30.1972 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 108-110 °C(lit.); 108-110°C; 115-119°C; 116-118 °C

安全信息

• 保存注意事项: Irritant
• 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; 26-37
• TSCA收录: 否
• 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; P280G-P305+P351+P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (HPLC); 97%
• 级别: purum
• 线性分子式: (C6F5)3P

详细说明

Sigma Aldrich - 290572

包装
1 g in glass bottle

参考文献

• Standard for mass spectrometry.
• In a study of Pd-catalyzed coupling reactions in supercritical CO₂, this ligand was among the best tried for the Heck reaction, giving much superior results to e.g. triphenyl- or tri(o-tolyl)phosphine: Chem. Commun., 1397 (1998). See also Tris[3,5-bis(trifluoromethyl)phenyl]phosphine, L06941.