tetrabutylazanium dihydrogen phosphate

• ChemBase编号: 105983
• 分子式: C16H38NO4P
• 平均质量: 339.450981
• 单一同位素质量: 339.25384533
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-]
• Canonical SMILES: [O-]P(=O)(O)O.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
• InChIKey: ARRNBPCNZJXHRJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tetrabutylazanium dihydrogen phosphate
• IUPAC传统名: tetrabutylammonium dihydrogen phosphate; tetrabutylammonium ion dihydrogenphosphate ion
• 别名: 四正丁基磷酸铵; 四丁基磷酸二氢铵; 四丁基磷酸氢铵 一元; 四丁基磷酸氢铵 溶液; Tetra-n-butylammonium dihydrogen phosphate; Tetra-n-butylammonium phosphate monobasic; Tetra-n-butylammonium phosphate; Tetrabutylammonium phosphate monobasic; Tetrabutylammonium dihydrogen phosphate; Tetrabutylammonium phosphate monobasic solution; TETRABUTYLAMMONIUM PHOSPHATE; TETRABUTYLAMMONIUM PHOSPHATE, HPLC GRADE

登记号

• CAS号: 5574-97-0
• EC号: 226-947-1; 231-791-2
• MDL号: MFCD00064526
• Beilstein号: 5196532
• PubChem SID: 24899978; 24888815; 162088996; 24868319; 24856262
• PubChem CID: 2735142

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• 摩尔折射率: 91.3961 cm^3
• 极化性: 31.734425 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: true

分子性质

理化性质

• 溶解度: H2O: soluble, clear to hazy; Soluble in acetonitrile, ethanol, water
• 外观: Crystalline
• 熔点: 151-154 °C(lit.); 151-154°C; 151-154°C
• 沸点: 81-82 °C
• 闪点: 2 °C; 35.6 °F
• 密度: 0.828 g/mL at 25 °C; 1.037 g/mL at 25 °C; 1.04 g/mL at 20 °C
• 折射率: n20/D 1.369
• 紫外吸收波长: λ: 210 nm Amax: 0.05; λ: 220 nm Amax: 0.04; λ: 300 nm Amax: 0.02; λ: 500 nm Amax: 0.02

安全信息

• 保存条件: 2-8°C, Desiccate, Store Under Nitrogen, Avoid excess heat
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1648
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-20/21/22-36; 36/38; R:36/37/38
• 安全公开号: 16-26-36/37; 26-37-60; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H302 + H332-H319; H315-H319
• GHS警示性声明: P210-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 1648 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ~97%; ~98%; ≥97.0% (T); ≥99.0% (T); 97%; 99+%
• 浓度: ~1 M in H2O; 0.4 M in acetonitrile; 1.0 M in H2O
• 级别: for ion pair chromatography; HPLC; puriss.; purum; reagent grade
• 适用性: corresponds to standard for filter test; corresponds to standard for RP gradient test
• 品质说明: ampule
• λ: in concentrate
• 线性分子式: (CH3CH2CH2CH2)4N[OP(OH)2O]

详细说明

MP Biomedicals - 02195513

Purity: ~97% Reported to be an ion-associating reagent for HPLC.

Sigma Aldrich - T1531

Application
HPLC 分析的离子缔合试剂
包装
1 g in poly tube
5, 25 g in poly bottle

Sigma Aldrich - 268100

Application
用于研究多种氮杂冠醚的结构、稳定性以及分子内柔性的阴离子。1
离子对色谱抗衡离子。
包装
100, 500 mL in poly bottle
5 mL in glass bottle

Sigma Aldrich - 86867

Other Notes
温和的酸1；制备烯丙基磷酸盐2

Sigma Aldrich - 86899

Other Notes
用于反相色谱的离子对试剂1,2,3
包装
安瓿瓶装浓缩液，用于 6×1L 0.005M 即用型溶液

参考文献

• Wahlund, J. Chromatogr., 115 : 411, (1975).