[ethyl(phenyl)phosphoroso]benzene

• ChemBase编号: 107538
• 分子式: C14H15OP
• 平均质量: 230.242061
• 单一同位素质量: 230.08605173
• SMILES: CCP(=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: CCP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
• InChIKey: AKTGKEBIBGSCLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [ethyl(phenyl)phosphoroso]benzene
• IUPAC传统名: [ethyl(phenyl)phosphoroso]benzene
• 别名: 乙基二苯基氧化膦; Diphenylphosphinoethane monoxide; Ethyldiphenylphosphine oxide; ETHYLDIPHENYLPHOSPHINITE

登记号

• CAS号: 1733-57-9
• EC号: 217-068-4
• MDL号: MFCD00013912
• PubChem SID: 24868912; 162093923
• PubChem CID: 74423

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.4864
• LogD (pH = 7.4): 3.4864
• Log P: 3.4864
• 摩尔折射率: 68.0924 cm^3
• 极化性: 27.0496 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 120-125 °C(lit.)

安全信息

• RTECS编号: SZ0199240
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-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: 97%
• 线性分子式: C2H5P(C6H5)2(O)

详细说明

MP Biomedicals - 05204100

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 454419

包装
5 g in glass bottle
Application
Reactant for:
• Regioselective lactonization of unsymmetrical 1,4-diols1
• Synthesis of a nanostructured dioxomolybdenum(VI) catalyst for liquid-phase epoxidation of olefins2
• Reduction of tertiary phosphine oxides with DIBAL-H3
• Diphenylphosphineyl-mediated synthesis of ketones4
• Nucleophilic aromatic substitution of hydrogen by phosphorous stabilized carbanions5
• Stereospecific reduction to form phosphines6