methyltrioctylazanium chloride

• ChemBase编号: 111434
• 分子式: C25H54ClN
• 平均质量: 404.15596
• 单一同位素质量: 403.39447841
• SMILES: [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC
• Canonical SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C.[Cl-]
• InChI: InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1
• InChIKey: XKBGEWXEAPTVCK-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: methyltrioctylazanium chloride
• IUPAC传统名: trioctylmethylammonium chloride
• 别名: 三辛基甲基氯化铵; 甲基三辛基氯化铵; 甲基三辛基氯化铵; Aliquat® 336; Aliquat® 336 替代产品; 氯化甲基三辛基铵; 三辛基甲基氯化铵; TRICAPRYLYL MONOMETHYLAMMONIUM CHLORIDE, 75% SOLUTION; Starks' catalyst; Tricaprylmethylammonium chloride, Methyltrioctylammonium chloride; Aliquat 336; Tricaprylylmethylammonium chloride; Trioctylmethylammonium chloride; Aliquat® 336; Methyltrioctylammonium chloride; Methyltri-n-octylammonium chloride; Aliquat® 128; Aliquat® 336 replacement product; Methyltrioctylammonium chloride; Tricaprylylmethylammonium chloride

登记号

• CAS号: 63393-96-4; 5137-55-3
• EC号: 225-896-2; 264-120-7
• MDL号: MFCD00011862
• Beilstein号: 4039255
• PubChem SID: 162096813; 24889433; 24885936; 24852212
• PubChem CID: 21218
• Chemspider ID: 19948
• 维基百科标题: Aliquat_336

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.334354
• LogD (pH = 7.4): 5.334354
• Log P: 5.334354
• 摩尔折射率: 132.7345 cm^3
• 极化性: 48.35746 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Colorless viscous liquid
• 熔点: -20°C
• 沸点: >240°C; 225°C
• 闪点: 113 °C; 113 °C (closed cup); 132 °C; 132°C(269°F); 235.4 °F; 269.6 °F
• 密度: 0.88 g/mL at 20 °C(lit.); 0.880; 0.884 g/cm3; 0.884 g/ml; 0.884 g/mL at 25 °C(lit.)
• 折射率: 1.4465; n20/D 1.4665(lit.)
• 粘度: 1500 mPa·s at 30 °C

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: BR8575000; UZ2997500
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 环境危害性(Nature polluting) (N); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2810; UN2810
• 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): 3; III
• 危险公开号: 22-34-50/53; 22-38-41-50/53; R:22-36/37/38; R22 R38 R41 R50/53
• 安全公开号: 23-26-36/37/39-57-60; 26-36/37/39-45-61; 26-39-60-61; S:25-26-36/37/39; S26 S39 S60 S61
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS09
• GHS警示词: Danger
• 主要危害: Toxic (USA)
• GHS危险声明: H301-H314-H410; H301-H315-H318-H400-H410; H301-H315-H318-H410
• GHS警示性声明: P273-P280-P301 + P310-P305 + P351 + P338-P310-P501; P273-P280-P301 + P310-P305 + P351 + P338-P501; P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

产品相关信息

• 纯度: ≥97.0% (AT)
• 简要说明: cationic
• 杂质: ~1% water
• 线性分子式: [CH3(CH2)6CH2]3N(Cl)CH3

详细说明

MP Biomedicals - 05219152

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 91042

Application
适用于几乎所有 PTC 应用的季铵化合物，无需水性后处理
包装
1 L in glass bottle
250 mL in glass bottle
法律信息
Aliquat 注册商标 BASF

Sigma Aldrich - 69485

包装
10, 50 g in glass bottle

Sigma Aldrich - 205613

包装
1 L in glass bottle
5, 250 mL in glass bottle
Application
C8 和 C10 链混合物，C8 占主体。用作金属提取剂1,2和相转移催化剂。3
法律信息
Aliquat 注册商标 BASF

参考文献

• Mixture of C₈-C₁₀; predominantly C₈.
• Aliquat is a registered trademark of Cognis Corporation.
• Widely used lipophilic phase-transfer catalyst. Catalyzes the synthesis of long-chain alkyl azides from the bromides in water or formamide: Tetrahedron Lett., 30, 1245 (1989), the formation and saponification of hindered esters with KOH in the absence of solvent: J. Org. Chem., 51, 740 (1986), the solvent-free S_NAr reactions of halopyridines: Heterocycles, 32, 1947 (1991), and dehydrohalogenation of vic-dibromides to alkynes: Org. Prep. Proced. Int., 21, 232 (1989). Catalyzes the solvent-free liquid-liquid phase-transfer hydroboration of olefins, using aqueous NaBH₄: Synlett, 997 (2000). See Appendix 2.