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

• ChemBase ID: 142075
• Molecular Formular: C8H16N2O4S
• Molecular Mass: 236.28864
• Monoisotopic Mass: 236.083078
• SMILES: CCCCn1cc[n+](c1)C.OS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)O.CCCCn1cc[n+](c1)C
• InChI: InChI=1S/C8H15N2.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-8H,3-5H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
• InChIKey: KXCVJPJCRAEILX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-3-methyl-1H-imidazol-3-ium hydrogen sulfate
• IUPAC Traditional name: 1-butyl-3-methylimidazolium hydrogensulfate
• Synonyms: Basionics® AC 28; 1-Butyl-3-methylimidazolium hydrogen sulfate; 1-丁基-3-甲基咪唑硫酸氢盐

Database IDs

• CAS Number: 262297-13-2
• MDL Number: MFCD06798197
• PubChem SID: 162236306; 24880743
• PubChem CID: 11424880

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: 284 °C; 543.2 °F

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: ≥94.5%; 95% (HPLC)
• Grade: BASF quality
• Impurities: ≤1.0% water
• Antion Traces: chloride (Cl-): ≤1%
• Empirical Formula (Hill Notation): C8H16N2O4S

DETAILS

Sigma Aldrich - 57457

General description
produced by Sigma-Aldrich, production and use of trademark licensed from BASF
Other Notes
prices for bulk quantities on request
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