[2-(diphenylphosphoroso)ethyl]diphenylphosphane

• ChemBase编号: 151703
• 分子式: C26H24OP2
• 平均质量: 414.415682
• 单一同位素质量: 414.13023865
• SMILES: c1ccc(cc1)P(CCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: O=P(c1ccccc1)(c1ccccc1)CCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H24OP2/c27-29(25-17-9-3-10-18-25,26-19-11-4-12-20-26)22-21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20H,21-22H2
• InChIKey: JCAUAUKUBUBNSB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(diphenylphosphoroso)ethyl]diphenylphosphane
• IUPAC传统名: [2-(diphenylphosphoroso)ethyl]diphenylphosphane
• 别名: [2-(二苯基膦)乙基]二苯基氧化膦; 1,2-双(二苯基膦)乙烷一氧化物; [2-(Diphenylphosphino)ethyl]diphenylphosphine oxide; 1,2-Bis(diphenylphosphino)ethane monooxide

登记号

• CAS号: 984-43-0
• MDL号: MFCD00345406
• PubChem SID: 162245853; 24880346
• PubChem CID: 473636

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.2618
• LogD (pH = 7.4): 6.2618
• Log P: 6.2618
• 摩尔折射率: 123.3861 cm^3
• 极化性: 49.009586 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 195-199 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97%
• 线性分子式: (C6H5)2POCH2CH2P(C6H5)2

详细说明

Sigma Aldrich - 567124

包装
1 g in glass bottle
Application
Catalyst for
• Radical polymerization of methacrylates1
• Asymmetric allylic alkylations2
• Hydroformylation of dihydromyrcenol3 and epoxides4Linker having an effect on biodistribution of PET tumor imaging agents5Reactant for Wittig-Horner olefination of aldehydes6