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

• ChemBase ID: 142074
• Molecular Formular: C8H15AlCl4N2
• Molecular Mass: 308.011638
• Monoisotopic Mass: 305.98047284
• SMILES: CCCCn1cc[n+](c1)C.[Al-](Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Al-](Cl)(Cl)Cl.CCCCn1cc[n+](c1)C
• InChI: InChI=1S/C8H15N2.Al.4ClH/c1-3-4-5-10-7-6-9(2)8-10;;;;;/h6-8H,3-5H2,1-2H3;;4*1H/q+1;+3;;;;/p-4
• InChIKey: PNOZWIUFLYBVHH-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-3-methyl-1H-imidazol-3-ium; tetrachloroalumanuide
• IUPAC Traditional name: 1-butyl-3-methylimidazolium; tetrachloroaluminate(1-)
• Synonyms: Basionics® AC 01; 1-Butyl-3-methylimidazolium tetrachloroaluminate; 1-丁基-3-甲基咪唑鎓四氯铝酸盐

Database IDs

• CAS Number: 80432-09-3
• MDL Number: MFCD06798193
• PubChem SID: 24879295; 162236305
• PubChem CID: 16688491

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.1459775
• LogD (pH = 7.4): -2.1459775
• Log P: -2.1459775
• Molar Refractivity: 42.7263 cm^3
• Polarizability: 16.443125 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 198 °C; 388.4 °F

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
• Empirical Formula (Hill Notation): C8H15AlCl4N2

DETAILS

Sigma Aldrich - 55292

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