tribenzylphosphane

• ChemBase编号: 146426
• 分子式: C21H21P
• 平均质量: 304.365201
• 单一同位素质量: 304.1380873
• SMILES: c1ccc(cc1)CP(Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CP(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C21H21P/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
• InChIKey: IFXORIIYQORRMJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tribenzylphosphane
• IUPAC传统名: tribenzylphosphine
• 别名: 三苄基膦; Tribenzylphosphine

登记号

• CAS号: 7650-89-7
• EC号: 231-608-6
• MDL号: MFCD00014439
• Beilstein号: 650179
• PubChem SID: 24860443; 162240622; 24889395
• PubChem CID: 82101

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.060696
• LogD (pH = 7.4): 5.7607107
• Log P: 6.0671
• 摩尔折射率: 100.6428 cm^3
• 极化性: 37.892147 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Crystalline
• 熔点: 93-99°C; 96-101 °C; 96-101 °C(lit.)
• 沸点: 183-185°C/0.2mm

安全信息

• 保存注意事项: Air & Moisture Sensitive
• RTECS编号: SZ3865000
• 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: 是
• 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: ≥95.0% (GC); 98%
• 级别: purum
• 线性分子式: (C6H5CH2)3P

详细说明

Sigma Aldrich - 336947

包装
2, 10 g in glass bottle
Application
Cocatalyst in:
• Preparation of coumarin derivatives via nickel-catalyzed cycloaddition1
• Copolymerization reactions2
• Rh-catalyzed hydroformylation reactions3
• Platinum-catalyzed oxidative hydroxylation reactions4
• Preparation of substituted allylamines by three-component coupling of alkynes, imines and organoboranes5
• Ruthenium catalyzed metathesis reactions (Degenerate ligand exchange)6

Sigma Aldrich - 90680

Other Notes
用于有机金属配合物（核角 165°）的中等大位阻膦配体7,8
Application
Cocatalyst in:
• Preparation of coumarin derivatives via nickel-catalyzed cycloaddition1
• Copolymerization reactions2
• Rh-catalyzed hydroformylation reactions3
• Platinum-catalyzed oxidative hydroxylation reactions4
• Preparation of substituted allylamines by three-component coupling of alkynes, imines and organoboranes5
• Ruthenium catalyzed metathesis reactions (Degenerate ligand exchange)6