heptyltriphenylphosphanium bromide

• ChemBase编号: 111786
• 分子式: C25H30BrP
• 平均质量: 441.383461
• 单一同位素质量: 440.12684959
• SMILES: [Br-].CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: CCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
• InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: heptyltriphenylphosphanium bromide
• IUPAC传统名: heptyltriphenylphosphanium bromide
• 别名: 正庚基三苯基溴化磷; N-HEPTYL TRIPHENYL PHOSPHONIUM BROMIDE; (1-Heptyl)triphenylphosphonium bromide; Heptyltriphenylphosphonium bromide; Heptyltriphenylphosphonium bromide

登记号

• CAS号: 13423-48-8
• EC号: 236-539-5
• MDL号: MFCD00050249
• Beilstein号: 3580843
• PubChem SID: 24863510; 162097216
• PubChem CID: 2724567

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.285396
• LogD (pH = 7.4): 7.285396
• Log P: 7.285396
• 摩尔折射率: 114.8978 cm^3
• 极化性: 45.515835 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 173-176 °C(lit.); 176-180°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)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37
• 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; P280G-P305+P351+P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95+%; 97%; 98+%
• 线性分子式: CH3(CH2)6P(C6H5)3Br

详细说明

MP Biomedicals - 05220988

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 377538

包装
50 g in glass bottle
Application
Reactant for:
• Stereospecific rearrangement of epoxides to quaternary carbaldehydes1
• Synthesis of the male pheromone of two species of termite Zootermopsis2
• Regio- and stereoselective TEMPO oxidation3
• Diastereoselective synthesis of climacostol for antitumor activity4
• Enantioselective synthesis of chiral vinylphosphonate and phosphonate analogs of immunosuppressive agent FTY7205
• Preparation of embelin derivatives with XIAP inhibitory and anticancer activity6