tetrabutylphosphanium bromide

• ChemBase编号: 112083
• 分子式: C16H36BrP
• 平均质量: 339.334801
• 单一同位素质量: 338.17379978
• SMILES: [Br-].CCCC[P+](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• InChI: InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
• InChIKey: RKHXQBLJXBGEKF-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tetrabutylphosphanium bromide
• IUPAC传统名: tetrabutylphosphonium bromide
• 别名: 四正丁基溴化磷鎓; 四丁基溴化膦; TETRA BUTYL PHOSPHONIUM BROMIDE; Tetra-n-butylphosphonium bromide; Tetrabutylphosphonium bromide

登记号

• CAS号: 3115-68-2
• EC号: 221-487-8
• MDL号: MFCD00011853
• Beilstein号: 4160474
• PubChem SID: 162098210; 24888829; 24851366; 24888827
• PubChem CID: 76564

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.5721793
• LogD (pH = 7.4): 5.5721793
• Log P: 5.5721793
• 摩尔折射率: 83.0876 cm^3
• 极化性: 33.34857 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 100-103 °C(lit.); 100-103°C; 102-104 °C; 99-103°C
• 闪点: 290 °C; 554 °F
• 紫外吸收波长: λ: 240 nm Amax: 0.04; λ: 250 nm Amax: 0.03; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: TA2417000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3464; UN3464
• 德国WGK号: 1
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; II
• 危险公开号: 20/22-24-37/38-41; 21/22-36/37/38; R:27
• 安全公开号: 26-27-36/37/39-45; 26-37/39; S:36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H310-H331-H315-H335-H318; H302-H311-H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338-P312; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3464 6.1/PG 3

产品相关信息

• 纯度: ≥98.0% (AT); ≥99.0% (AT); 98%; 99%
• 级别: for ion pair chromatography; puriss. p.a.; purum
• 适用性: corresponds to standard for filter test
• 燃烧残渣: ≤2%
• λ: 10 % in H2O
• 线性分子式: (CH3CH2CH2CH2)4P(Br)

详细说明

MP Biomedicals - 05222465

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 189138

包装
100, 500 g in poly bottle

参考文献

• Quaternary phosphonium salt, useful as a phase-transfer catalyst at high temperatures, at which nitrogen analogues tend to undergo elimination (see Appendix 2), e.g. as catalyst for the dealkoxycarbonylation of malonates and ?-keto esters by heating in stearic acid: Synthesis, 320 (1985).
• Has been used as an ionic liquid solvent in the regioselective O-alkylation of C/O ambident nucleophiles: Tetrahedron Lett., 33, 4435 (1992); see Tetra-n-butylammonium bromide, A10249.