triphenyl[3-(triphenylphosphaniumyl)propyl]phosphanium dibromide

• ChemBase编号: 85009
• 分子式: C39H36Br2P2
• 平均质量: 726.458662
• 单一同位素质量: 724.06589841
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
• Canonical SMILES: C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
• InChI: InChI=1S/C39H36P2.2BrH/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;;/h1-18,20-31H,19,32-33H2;2*1H/q+2;;/p-2
• InChIKey: VHCYVFIHNUYVHU-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: triphenyl[3-(triphenylphosphaniumyl)propyl]phosphanium dibromide
• IUPAC传统名: triphenyl[3-(triphenylphosphaniumyl)propyl]phosphanium dibromide
• 别名: 三亚甲基双(三苯基溴化膦); triphenyl[3-(1,1,1-triphenylphosphonio)propyl]phosphonium dibromide; 1,3-Bis(triphenylphosphonio)propane dibromide; Trimethylenebis(triphenylphosphonium bromide)

登记号

• CAS号: 7333-67-7
• EC号: 230-835-8
• MDL号: MFCD00051885
• Beilstein号: 4281936
• PubChem SID: 162072125
• PubChem CID: 2795061

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.144016
• LogD (pH = 7.4): 9.144016
• Log P: 9.144016
• 摩尔折射率: 177.3388 cm^3
• 极化性: 69.967995 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 333-335°C

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 98+%

参考文献

• The bis-Wittig reaction with ɑ-dicarbonyl compounds has been used to prepare cyclopentadienes for subsequent use in the Diels-Alder reaction: J. Am. Chem. Soc., 111, 2351 (1989). For use in the synthesis of open-chain or cyclic polyenes, see: Liebigs Ann. Chem., 619, 10 (1958). Reaction with geranylacetone provides a one-step synthesis of norsqualene: Synthesis, 22 (1970).
• For review of the bis-Wittig reaction in the synthesis of non-benzenoid aromatic compounds, see: Synthesis, 765 (1975).