(2-oxo-2-phenylethyl)triphenylphosphanium bromide

• ChemBase编号: 74850
• 分子式: C26H22BrOP
• 平均质量: 461.330041
• 单一同位素质量: 460.05916395
• SMILES: O=C(c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: O=C(c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C26H22OP.BrH/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
• InChIKey: AEHDSYHVTDJGDN-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (2-oxo-2-phenylethyl)triphenylphosphanium bromide
• IUPAC传统名: (2-oxo-2-phenylethyl)triphenylphosphanium bromide
• 别名: (苯甲酰基甲基)三苯基溴化膦; (Benzoylmethyl)triphenylphosphonium bromide; (2-Oxo-2-phenylethyl)triphenylphosphonium bromide; (Benzoylmethyl)triphenylphosphonium bromide; Phenacyltriphenylphosphonium bromide; (2-Oxo-2-phenylethyl)triphenylphosphonium bromide; Phenacyltriphenylphosphonium bromide; (Benzoylmethyl)triphenylphosphonium bromide

登记号

• CAS号: 6048-29-9
• EC号: 227-945-3
• MDL号: MFCD00011920
• Beilstein号: 3642554
• PubChem SID: 24849116; 162039768
• PubChem CID: 197064

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.652457
• LogD (pH = 7.4): 5.652457
• Log P: 5.652457
• 摩尔折射率: 117.2213 cm^3
• 极化性: 45.90232 Å^3
• 极化表面积: 17.07 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: 265-268 °C (dec.)(lit.); ca 266°C dec.

安全信息

• 保存注意事项: Hygroscopic; Irritant/Hygroscopic
• RTECS编号: TA2400000
• 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: 26-37; 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

产品相关信息

• 纯度: ≥90%; 95+%; 97+%
• 级别: technical grade
• 线性分子式: C6H5COCH2P(C6H5)3Br

详细说明

Sigma Aldrich - 151335

包装
25 g in poly bottle
Application
Catalyst for protections and deprotection of alcohols via etherification1Reactant involved in:
• Investigations of gas-phase pyrolysis2
• Asymmetric hydroxylamine / enone cascade reactions3
• Reductive Michael cyclizations4
• Microwave-assisted Wittig olefination5
• Synthesis of polyfunctionally substituted heterocycles6