methyltrioctylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane

• ChemBase编号: 130022
• 分子式: C27H54F6N2O4S2
• 平均质量: 648.8490792
• 单一同位素质量: 648.34291954
• SMILES: FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC
• Canonical SMILES: FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C
• InChI: InChI=1S/C25H54N.C2F6NO4S2/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;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-25H2,1-4H3;/q+1;-1
• InChIKey: LAGQNGWYNLUQRI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyltrioctylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
• IUPAC传统名: bistriflylimide anion; trioctylmethylammonium
• 别名: 三辛基甲基铵双(三氟甲基磺酰)亚胺; 甲基三正辛基铵双(三氟甲烷磺酰)亚胺; 甲基-三辛基铵双(三氟甲基磺酰)亚胺; Methyl-trioctylammonium bis(trifluoromethylsulfonyl)imide; Trioctylmethylammonium bis(trifluoromethylsulfonyl)imide; NSC 747259; Methyltri-n-octylammonium bis(trifluoromethanesulfonyl)imide; Trioctylmethylammonium bis(trifluoromethylsulfonyl)imide; Methyl-trioctylammonium bis(trifluoromethylsulfonyl)imide

登记号

• CAS号: 375395-33-8
• MDL号: MFCD08275364
• PubChem SID: 24845076; 162224307
• PubChem CID: 16211009
• CHEMBL: 561679
• Chemspider ID: 17339079
• 维基百科标题: Trioctylmethylammonium_bis(trifluoromethylsulfonyl)imide

理论计算性质

• 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: 23
• 里宾斯基五规则: false
• 质子受体: 0
• 质子供体: 0

分子性质

理化性质

• 闪点: >110 °C; >230 °F
• 密度: 1.095 g/mL at 25 °C
• 折射率: n20/D 1.439
• 电导率: ~0.04 mS/cm

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; R36/37/38
• 安全公开号: 26; S26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: 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: ≥99% (NMR)
• 级别: for electrochemistry; for energy applications
• 杂质: ≤300 ppm water
• 痕量阴离子: bromide (Br-): ≤20 mg/kg; chloride (Cl-): ≤20 mg/kg; fluoride (F-): ≤20 mg/kg; nitrate (NO3-): ≤10 mg/kg; sulfate (SO42-): ≤10 mg/kg
• electrochemical window: -2.6-+2.8 V
• Empirical Formula (Hill Notation): C27H54F6N2O4S2

详细说明

Sigma Aldrich - 724432

Application
Capacitor technology, light-emitting devices, thin-film transistors, optical storage media1,2,3
包装
1 g in glass bottle
Protocols & Applications
Ionic Liquids for Energy Storage Applications