triphenyl(propyl)phosphanium bromide

• ChemBase编号: 81342
• 分子式: C21H22BrP
• 平均质量: 385.277141
• 单一同位素质量: 384.06424933
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC.[Br-]
• Canonical SMILES: CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
• InChIKey: XMQSELBBYSAURN-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: triphenyl(propyl)phosphanium bromide
• IUPAC传统名: triphenyl(propyl)phosphanium bromide
• 别名: 丙基三苯基溴化膦; 丙基三苯基溴化膦; 三苯基丙基溴化膦; (1-丙基)三苯基溴化磷鎓; Propyltriphenylphosphonium bromide; NSC 50539; Propyltriphenylphosphonium bromide; Triphenylpropylphosphonium bromide; Propyl(triphenyl)phosphonium bromide; Triphenyl-n-propylphosphonium bromide; (1-Propyl)triphenylphosphonium bromide; Propyltriphenylphosphonium bromide

登记号

• CAS号: 6228-47-3
• EC号: 228-330-2
• MDL号: MFCD00011843
• Beilstein号: 3599726
• PubChem SID: 162068461; 24848023; 24887975
• PubChem CID: 80374

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.507121
• LogD (pH = 7.4): 5.507121
• Log P: 5.507121
• 摩尔折射率: 96.4938 cm^3
• 极化性: 38.127934 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 235-238 °C(lit.); 236-240°C

安全信息

• 保存注意事项: Hygroscopic; Irritant/Hygroscopic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 21/22; 36/37/38
• 安全公开号: 26-37; 36/37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312; H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (AT); 98%; 99%
• 线性分子式: (C6H5)3P(Br)CH2CH2CH3; CH3CH2CH2P(C6H5)3Br

详细说明

Sigma Aldrich - 131563

包装
25 g in poly bottle
Application
Catalyst for the carboxylation of styrene oxide1Reactant involved in:
• Epoxidation of arylalkenes2
• Boration of allylic epoxides3
• Wittig reactions4
• Selective dimerization of α-olefins5
• Synthesis of indoles6

Sigma Aldrich - 82468

Application
Catalyst for the carboxylation of styrene oxide1Reactant involved in:
• Epoxidation of arylalkenes2
• Boration of allylic epoxides3
• Wittig reactions4
• Selective dimerization of α-olefins5
• Synthesis of indoles6