tributyl(methyl)azanium chloride

• ChemBase编号: 149565
• 分子式: C13H30ClN
• 平均质量: 235.837
• 单一同位素质量: 235.20667765
• SMILES: CCCC[N+](C)(CCCC)CCCC.[Cl-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)C.[Cl-]
• InChI: InChI=1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
• InChIKey: IPILPUZVTYHGIL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tributyl(methyl)azanium chloride
• IUPAC传统名: tributyl(methyl)azanium chloride
• 别名: 甲基三丁基氯化铵 溶液; 三丁基甲基氯化铵 溶液; 甲基三丁基氯化铵; 三丁基甲基氯化铵; 甲基三正丁基溴化铵; Methyltributylammonium chloride solution; Tributylmethylammonium chloride solution; Methyltributylammonium chloride; Tributylmethylammonium chloride; MTBAC; Tri-n-butylmethylammonium chloride; Methyltri-n-butylammonium chloride; N,N-Dibutyl-N-methylbutan-1-aminium chloride

登记号

• CAS号: 56375-79-2
• EC号: 260-135-8
• MDL号: MFCD00011847
• Beilstein号: 6300212
• PubChem SID: 24886086; 162243730; 24855292
• PubChem CID: 91822

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -4.701068E-4
• LogD (pH = 7.4): -4.701068E-4
• Log P: -4.701068E-4
• 摩尔折射率: 77.5225 cm^3
• 极化性: 26.193508 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -33°C
• 沸点: 152 °C; 84-85°C/101mm
• 密度: 0.964; 0.964 g/mL at 25 °C
• 折射率: n20/D 1.4682
• 蒸汽压: 7.9 mmHg ( 25 °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; 36/37/38
• 安全公开号: 26
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H319
• GHS警示性声明: P261-P305 + P351 + P338; P280-P264-P305+P351+P338-P337+P313
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥98.0% (T); 95+%; Aliquat 175 (75% aq. soln.)
• 浓度: 75 wt. % in H2O
• 线性分子式: (CH3CH2CH2CH2)3N(Cl)CH3; CH3N[CH3(CH2)3]3Cl

详细说明

Sigma Aldrich - 255165

包装
100, 500 g in poly bottle

Sigma Aldrich - 70444

包装
100, 500 g in poly bottle

参考文献

• Aliquat is a registered trademark of Cognis Corporation.
• Phase-transfer catalyst (see Appendix 2) with high water solubility, allowing clean separations from organic-soluble products prior to crystallization.