1-ethyl-3-methyl-1H-imidazol-3-ium; tetrachloroalumanuide

• ChemBase ID: 142078
• Molecular Formular: C6H11AlCl4N2
• Molecular Mass: 279.958478
• Monoisotopic Mass: 277.94917271
• SMILES: CCn1cc[n+](c1)C.[Al-](Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Al-](Cl)(Cl)Cl.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.Al.4ClH/c1-3-8-5-4-7(2)6-8;;;;;/h4-6H,3H2,1-2H3;;4*1H/q+1;+3;;;;/p-4
• InChIKey: UYYXEZMYUOVMPT-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium; tetrachloroalumanuide
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium; tetrachloroaluminate(1-)
• Synonyms: Basionics® AC 09; 1-Ethyl-3-methyl-1H-imidazolium tetrachloroaluminate; 1-Ethyl-3-methylimidazolium tetrachloroaluminate; 1-乙基-3-甲基-1H-咪唑鎓四氯铝酸盐; 1-乙基-3-甲基咪唑四氯铝酸盐

Database IDs

• CAS Number: 80432-05-9
• MDL Number: MFCD06798187
• PubChem SID: 162236309; 24873514
• PubChem CID: 2734254

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• Molar Refractivity: 33.6013 cm^3
• Polarizability: 12.75589 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 218 °C; 424.4 °F
• Density: 1.304 g/mL at 25 °C
• Refractive Index: n20/D 1.484

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥94.5% (HPLC); ≥95%
• Grade: BASF quality; for energy applications
• Empirical Formula (Hill Notation): C6H11AlCl4N2

DETAILS

Sigma Aldrich - 724424

Application
Dye sensitized solar cell, capacitor technology, batteries1†2,3
Packaging
5 g in glass bottle
Protocols & Applications
Ionic Liquids for Energy Storage Applications

Sigma Aldrich - 51059

General description
produced by Sigma-Aldrich, production and use of trademark licensed from BASF
Packaging
1 kg in glass bottle
100 g in glass bottle
Application
Basionic Ionic Liquids
Legal Information
Basionics is a registered trademark of BASF SE