methyltrinonylazanium methyltrioctylazanium tris(decyl)(methyl)azanium trichloride

• ChemBase编号: 151028
• 分子式: C84H180Cl3N3
• 平均质量: 1338.7071
• 单一同位素质量: 1336.32428582
• SMILES: CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCCCCCCCCC.CCCCCCCCC[N+](C)(CCCCCCCCC)CCCCCCCCC.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-].[Cl-].[Cl-]
• Canonical SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C.CCCCCCCCC[N+](CCCCCCCCC)(CCCCCCCCC)C.CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)C.[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/C31H66N.C28H60N.C25H54N.3ClH/c1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;1-5-8-11-14-17-20-23-26-29(4,27-24-21-18-15-12-9-6-2)28-25-22-19-16-13-10-7-3;1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;;;/h5-31H2,1-4H3;5-28H2,1-4H3;5-25H2,1-4H3;3*1H/q3*+1;;;/p-3
• InChIKey: RMQKQYWUFZNCMA-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: methyltrinonylazanium methyltrioctylazanium tris(decyl)(methyl)azanium trichloride
• IUPAC传统名: methyltrinonylazanium trioctylmethylammonium tris(decyl)(methyl)azanium trichloride
• 别名: 甲基三烷基(C8-C10)氯化铵; Methyltrialkyl(C8-C10)ammonium chloride; Adogen® 464

登记号

• CAS号: 72749-59-8
• MDL号: MFCD00132827
• PubChem SID: 24888427; 162245187
• PubChem CID: 16218603

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.001766
• LogD (pH = 7.4): 8.001766
• Log P: 8.001766
• 摩尔折射率: 160.3405 cm^3
• 极化性: 59.43959 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 72
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 109.4 °F; 43 °C
• 密度: 0.898 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.4665(lit.)
• 蒸汽压: 33 mmHg ( 20 °C)
• 蒸汽密度: >1 (vs air)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 环境危害性(Nature polluting) (N)
• 联合国危险货物编号: 2924
• 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): 3
• 危险公开号: 10-22-34-50/53-67
• 安全公开号: 26-36/37/39-45-61
• GHS危险品标识: GHS02; GHS05; GHS06; GHS09
• GHS警示词: Danger
• 爆炸极限: 12 %
• GHS危险声明: H226-H301-H314-H410
• GHS警示性声明: P273-P280-P301 + P310-P305 + P351 + P338-P310-P501
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 3

详细说明

Sigma Aldrich - 856576

包装
100, 500 mL in poly bottle
Application
常用的相转移催化剂。1用于提取金属离子进行分光光度法测定。2,3
法律信息
Adogen 注册商标 Evonik Goldschmidt Corporation