ethyltriphenylphosphanium iodide

• ChemBase编号: 144854
• 分子式: C20H20IP
• 平均质量: 418.251031
• 单一同位素质量: 418.03473527
• SMILES: CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• Canonical SMILES: CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• InChI: InChI=1S/C20H20P.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
• InChIKey: SLAFUPJSGFVWPP-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: ethyltriphenylphosphanium iodide
• IUPAC传统名: ethyltriphenylphosphanium iodide
• 别名: 乙基三苯基碘化膦; 碘化乙基三苯基瞵; ETPPI; Phenylphosphonium ethyl iodide; Ethyltriphenylphosphonium iodide; Ethyltriphenylphosphonium Iodide; Hishicolin ETPPI; Ethyltriphenylphosphonium Iodide

登记号

• CAS号: 4736-60-1
• EC号: 225-245-2
• MDL号: MFCD00040352
• Beilstein号: 3659323
• PubChem SID: 24869776; 162239066; 24864288
• PubChem CID: 78474

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.984599
• LogD (pH = 7.4): 4.984599
• Log P: 4.984599
• 摩尔折射率: 91.9698 cm^3
• 极化性: 36.28101 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Dichloromethane; Methanol
• 外观: Yellow Foam
• 熔点: 164-168 °C; 164-168 °C(lit.); 164-169°C

安全信息

• 保存注意事项: Light Sensitive & Hygroscopic
• RTECS编号: TA2312000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 21-25-37-41; 25
• 安全公开号: 26-36/37/39-45; 45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301; H301-H312-H335-H318
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P301 + P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥95% (AT); 95%; 98+%
• 级别: technical
• 线性分子式: (C6H5)3P(I)C2H5

详细说明

Sigma Aldrich - 389471

包装
100 g in glass bottle
Application
Reactant involved in:
• Synthesis of diarylmethine derivatives1, phosphonium salts2, and bismuth(III) polynuclear halide complexes3
• Asymmetric hydrogenation4

Sigma Aldrich - 46095

Application
Reactant involved in:
• Synthesis of diarylmethine derivatives1, phosphonium salts2, and bismuth(III) polynuclear halide complexes3
• Asymmetric hydrogenation4

Toronto Research Chemicals - E931955

Wittig reagent.

参考文献

• The phosphorane, generated by reaction with n-BuLi, reacts with nitriles to give high yields of ketones: J. Am. Chem. Soc., 89, 7009 (1967).