(3-methylbutyl)triphenylphosphanium bromide

• ChemBase编号: 147366
• 分子式: C23H26BrP
• 平均质量: 413.330301
• 单一同位素质量: 412.09554946
• SMILES: CC(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: CC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]
• InChI: InChI=1S/C23H26P.BrH/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H/q+1;/p-1
• InChIKey: GZLGTVRDLCJQTO-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (3-methylbutyl)triphenylphosphanium bromide
• IUPAC传统名: (3-methylbutyl)triphenylphosphanium bromide
• 别名: 三苯基溴化膦异戊酯; 异戊基三苯基溴化磷鎓; (3-Methylbutyl)triphenylphosphonium bromide; Isoamyltriphenylphosphonium bromide; Isoamyltriphenylphosphonium bromide; Isopentyltriphenylphosphonium bromide

登记号

• CAS号: 28322-40-9
• EC号: 248-966-4
• MDL号: MFCD00031594
• Beilstein号: 3804221
• PubChem SID: 24861526; 162241554
• PubChem CID: 2759379

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.238709
• LogD (pH = 7.4): 6.238709
• Log P: 6.238709
• 摩尔折射率: 105.6434 cm^3
• 极化性: 41.82187 Å^3
• 极化表面积: 0.0 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: 157-159 °C(lit.); ca 155°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: 26-37; 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: 98%
• 线性分子式: (CH3)2CHCH2CH2P(C6H5)3Br

详细说明

Sigma Aldrich - 347779

包装
5, 25 g in glass bottle
Application
Reactant for:
• Preparation of 9,11-secosterol analogs as antitumor agents1
• Synthesis of antiepileptic, ceramide I, and its triacetyl derivatives via olefin cross metathesis2
• Preparation of meso-epoxides via substitution of alkyl bromides with triphenylphosphine followed by Wittig olefination and epoxidation3