butyltriphenylphosphanium bromide

• ChemBase编号: 80772
• 分子式: C22H24BrP
• 平均质量: 399.303721
• 单一同位素质量: 398.0798994
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCC.[Br-]
• Canonical SMILES: CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
• InChIKey: IKWKJIWDLVYZIY-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: butyltriphenylphosphanium bromide
• IUPAC传统名: butyltriphenylphosphanium bromide
• 别名: (正丁基)三苯基溴化磷鎓; 丁基三苯基溴化膦; (1-Butyl)triphenylphosphonium bromide; butyl(triphenyl)phosphonium bromide; NSC 59684; TBP; Butyltriphenylphosphonium bromide; Butyltriphenylphosphonium bromide

登记号

• CAS号: 1779-51-7
• EC号: 217-219-4
• MDL号: MFCD00011855
• Beilstein号: 3580224
• PubChem SID: 162067892; 24891546
• PubChem CID: 159628

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.95169
• LogD (pH = 7.4): 5.95169
• Log P: 5.95169
• 摩尔折射率: 101.0948 cm^3
• 极化性: 39.9749 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: 240-242 °C; 240-243 °C(lit.); 240-243°C

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: TA1855200
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: UN3464
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 21/22; 22-36/37/38
• 安全公开号: 26-36/37; 36/37
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H315-H319-H335; H302-H312
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P280
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (AT); 98%; 99%
• 级别: purum
• 线性分子式: (C6H5)3P(Br)CH2CH2CH2CH3

详细说明

Sigma Aldrich - B102806

包装
100 g in poly bottle
Application
Reactant for:
• Free radical 5-exo-dig cyclization1
• Intramolecular hydroacylalkoxylation2
• Wittig reactions for stereoselective synthesis of alkenes3
• Dimerization of α-olefins4
• Alkylidenation of hydrazides for synthesis of indoles5
• Tandem cyclization and 1,2-thiolate shift of nitrogen ylides6

Sigma Aldrich - 20600

Application
Reactant for:
• Free radical 5-exo-dig cyclization1
• Intramolecular hydroacylalkoxylation2
• Wittig reactions for stereoselective synthesis of alkenes3
• Dimerization of α-olefins4
• Alkylidenation of hydrazides for synthesis of indoles5
• Tandem cyclization and 1,2-thiolate shift of nitrogen ylides6