tris[3,5-bis(trifluoromethyl)phenyl]phosphane

• ChemBase编号: 99837
• 分子式: C24H9F18P
• 平均质量: 670.2732786
• 单一同位素质量: 670.01544488
• SMILES: P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(c1cc(cc(c1)C(F)(F)F)P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F
• InChI: InChI=1S/C24H9F18P/c25-19(26,27)10-1-11(20(28,29)30)5-16(4-10)43(17-6-12(21(31,32)33)2-13(7-17)22(34,35)36)18-8-14(23(37,38)39)3-15(9-18)24(40,41)42/h1-9H
• InChIKey: ITJHLZVYLDBFOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris[3,5-bis(trifluoromethyl)phenyl]phosphane
• IUPAC传统名: tris[3,5-bis(trifluoromethyl)phenyl]phosphane
• 别名: 三[3,4-双(三氟甲基)苯基]膦; 三[3,5-二(三氟甲基)苯基]膦; Tris[3,5-bis(trifluoromethyl)phenyl]phosphane; Tris[3,5-bis(trifluoromethyl)phenyl]phosphine 97%; tri[3,5-di(trifluoromethyl)phenyl]phosphine; Tris[3,5-bis(trifluoromethyl)phenyl]phosphine

登记号

• CAS号: 175136-62-6
• MDL号: MFCD00042428
• Beilstein号: 6556841
• PubChem SID: 24886662; 162086084
• PubChem CID: 2778032

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 10.4034
• LogD (pH = 7.4): 10.4034
• Log P: 10.4034
• 摩尔折射率: 117.4651 cm^3
• 极化性: 40.966278 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: yellow-brown
• 熔点: 98-102°C; 99-100°C
• 沸点: 128-130°C/0.5mm; 129°C/0.5mm

安全信息

• 保存注意事项: Irritant/Air Sensitive/Store under inert gas/Store at -20oC
• 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; 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (31P-NMR); 90%; 94%
• Empirical Formula (Hill Notation): C24H9F18P

详细说明

Sigma Aldrich - 74231

Other Notes
在溶剂中具有高溶解度的膦1
包装
500 mg in poly bottle

参考文献

• In a study of coupling reactions in supercritical CO₂, catalyzed by Tris(dibenzylideneacetone)dipalladium(0), 12760, this ligand was among the best tried in both the Stille and Heck reactions, giving much superior results to e.g. triphenyl- or tri(o-tolyl)phosphine: Chem. Commun., 1397 (1998). See also Tri(2-furyl)phosphine, L13329, Tris(pentafluorophenyl)phosphine, L02748