1-ethyl-3-methyl-1H-imidazol-3-ium hydrogen sulfate

• ChemBase ID: 142081
• Molecular Formular: C6H12N2O4S
• Molecular Mass: 208.23548
• Monoisotopic Mass: 208.05177787
• SMILES: CCn1cc[n+](c1)C.OS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)O.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.H2O4S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
• InChIKey: HZKDSQCZNUUQIF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium hydrogen sulfate
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium hydrogensulfate
• Synonyms: Basionics® AC 25; 1-Ethyl-3-methylimidazolium hydrogen sulfate; 1-乙基-3-甲基咪唑硫酸氢盐

Database IDs

• CAS Number: 412009-61-1
• MDL Number: MFCD06798195
• PubChem SID: 162236312; 24880204
• PubChem CID: 16217215

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

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• 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

Product Information

• Purity: 95%
• Grade: BASF quality
• Empirical Formula (Hill Notation): C6H12N2O4S

DETAILS

Sigma Aldrich - 56486

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