[2-(1,3-dioxolan-2-yl)ethyl]triphenylphosphanium bromide

• ChemBase编号: 122866
• 分子式: C23H24BrO2P
• 平均质量: 443.313221
• 单一同位素质量: 442.06972864
• SMILES: [P+](CCC1OCCO1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: C1COC(O1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C23H24O2P.BrH/c1-4-10-20(11-5-1)26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)19-16-23-24-17-18-25-23;/h1-15,23H,16-19H2;1H/q+1;/p-1
• InChIKey: ZCJKBPSRKLHANV-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [2-(1,3-dioxolan-2-yl)ethyl]triphenylphosphanium bromide
• IUPAC传统名: [2-(1,3-dioxolan-2-yl)ethyl]triphenylphosphanium bromide
• 别名: 2-(1,3-二氧戊环-2-基)乙基三苯基溴化鏻; 2-(1,3-Dioxolan-2-yl)ethyltriphenylphosphonium bromide; (2-(1,3-dioxolan-2-yl)ethyl)triphenylphosphonium bromide

登记号

• CAS号: 86608-70-0
• EC号: 404-940-6
• MDL号: MFCD00075119
• Beilstein号: 5209374
• PubChem SID: 162217219; 24866636; 24860519
• PubChem CID: 2733834

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.958496
• LogD (pH = 7.4): 4.958496
• Log P: 4.958496
• 摩尔折射率: 106.5286 cm^3
• 极化性: 42.36745 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 144-146 °C(lit.)

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 22-33-41-52/53
• 安全公开号: 22-26-39-61
• GHS危险品标识: GHS05; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H318-H373-H412
• GHS警示性声明: P273-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (AT); 95+%; 97%
• 级别: purum
• 成盐信息: Br-
• Empirical Formula (Hill Notation): C23H24BrO2P

详细说明

Sigma Aldrich - 338117

包装
5 g in glass bottle
Application
Reactant for:
• Wittig olefination1
• Preparationof ligands for histamine receptor binding with H3/H4 subtype selectivity2
• Preparation of dual inhibitors of phosphodiesterase-4 and serotonin reuptake3

Sigma Aldrich - 42547

Other Notes
醛或酮的三碳同系化试剂4,5
Application
Reactant for:
• Wittig olefination1
• Preparationof ligands for histamine receptor binding with H3/H4 subtype selectivity2
• Preparation of dual inhibitors of phosphodiesterase-4 and serotonin reuptake3