(diphenylphosphoroso)benzene

• ChemBase编号: 79290
• 分子式: C18H15OP
• 平均质量: 278.284861
• 单一同位素质量: 278.08605173
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: FIQMHBFVRAXMOP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (diphenylphosphoroso)benzene
• IUPAC传统名: (diphenylphosphoroso)benzene; triphenylphosphine oxide
• 别名: 三苯基氧膦; Triphenylphosphine oxide; Ph3PO; TPPO; Triphenyl phosphorus oxide; Triphenylphosphine monoxide; Triphenylphosphine oxide; Triphenylphosphine oxide

登记号

• CAS号: 791-28-6
• EC号: 212-338-8
• MDL号: MFCD00002080
• Beilstein号: 745854
• PubChem SID: 24900532; 162044053; 24889795
• PubChem CID: 13097
• CHEBI ID: 36601
• CHEMBL: 482091
• Chemspider ID: 12549
• 维基百科标题: Triphenylphosphine_oxide

理论计算性质

• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.7552
• LogD (pH = 7.4): 4.7552
• Log P: 4.7552
• 摩尔折射率: 83.0658 cm^3
• 极化性: 32.96797 Å^3
• 极化表面积: 17.07 Å^2

分子性质

理化性质

• 溶解度: low in water; methanol: soluble25 mg/mL, clear; polar organic solvents
• 外观: white crystals
• 熔点: 150-157 °C(lit.); 152-158 °C; 153-159°C; 154-158 °C (427-429 K)
• 沸点: 360 °C (633 K); 360°C
• 闪点: 180 °C; 180°C(356°F); 356 °F
• 密度: 1.200
• 作为配体的用途: Coupling Reactions; Epoxidations; Michael Reaction

安全信息

• RTECS编号: SZ1676000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 22-36/37/38; 22-52/53
• 安全公开号: 26; 36-61
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• 主要危害: slight
• GHS危险声明: H301-H402-H412; H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P273-P264-P301+P310-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (HPLC); 95+%; 97%; 98%; 99%
• 级别: purum
• 线性分子式: (C6H5)3PO

详细说明

MP Biomedicals - 05219534

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T84603

包装
25, 100 g in poly bottle

参考文献

• The reagent prepared from a 2:1 molar ratio of the phosphine oxide and triflic anhydride is a useful dehydrating agent, e.g. for preparation of nitriles from amides or oximes, or of amides from acids and amines: J. Org. Chem., 52, 4137 (1987). In combination with triethylamine, the reagent also dehydrates activated ketones to alkynes: Synthesis, 217 (1989).