[2-(diphenylphosphanyl)ethenyl]diphenylphosphane

• ChemBase编号: 145329
• 分子式: C26H22P2
• 平均质量: 396.400402
• 单一同位素质量: 396.11967396
• SMILES: c1ccc(cc1)P(/C=C/P(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)/C=C/P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
• InChIKey: NCKJIJSEWKIXAT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(diphenylphosphanyl)ethenyl]diphenylphosphane; [(E)-2-(diphenylphosphanyl)ethenyl]diphenylphosphane
• IUPAC传统名: [2-(diphenylphosphanyl)ethenyl]diphenylphosphane; [(E)-2-(diphenylphosphanyl)ethenyl]diphenylphosphane
• 别名: 顺式-1,2-双(二苯基膦)乙烯; 反式-1,2-双(二苯基膦)乙烯; 反-1,2-双(二苯基膦基)乙烯; cis-1,2-Bis(diphenylphosphino)ethene; cis-Vinylenebis(diphenylphosphine); cis-1,2-Bis(diphenylphosphino)ethylene; (E)-Vinylenebis[diphenylphosphine]; trans-1,2-Ethenediylbis(diphenylphosphine); NSC 132587; trans-1,2-Bis(diphenylphosphino)ethylene

登记号

• CAS号: 983-80-2; 983-81-3
• EC号: 213-569-7; 213-570-2
• MDL号: MFCD00003046; MFCD00063219
• Beilstein号: 757793
• PubChem SID: 24857303; 162239535; 24859677
• PubChem CID: 2733288

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.9444
• LogD (pH = 7.4): 6.9444
• Log P: 6.9444
• 摩尔折射率: 121.286 cm^3
• 极化性: 48.12584 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

• 熔点: 122-124 °C(lit.); 126-130 °C(lit.); 126-130°C

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3464
• 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): 2
• 危险公开号: 36/37/38
• 安全公开号: 26-37; 26-37/39
• TSCA收录: 否
• 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
• RID/ADR: UN 3464 6.1/PG 2

产品相关信息

• 纯度: 97%; 98%
• 线性分子式: (C6H5)2PCH=CHP(C6H5)2

详细说明

Sigma Aldrich - 327646

包装
1, 5 g in glass bottle

Sigma Aldrich - 287970

包装
1 g in glass bottle
Application
Catalyst for:
• Coupling of primary and secondary alkyl halides with aryl grignard reagents1
• Homogeneous hydrogenation of Carbon Dioxide mediated by Ruthenium2Reactant for:
• Preparation of cyclopalladated derivatives of benzylidene3
• Preparation of cyclopalladated complexes containing tridentate thiosemicarbazone ligands as antimalarial agents4
• Catalytic asymetric intramolecular hydroamination of alkynylamines5