1-ethyl-3-methyl-1H-imidazol-3-ium methanesulfonate

• ChemBase ID: 140317
• Molecular Formular: C7H14N2O3S
• Molecular Mass: 206.26266
• Monoisotopic Mass: 206.07251332
• SMILES: CCn1cc[n+](c1)C.CS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)C.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: IXLWEDFOKSJYBD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium methanesulfonate
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium mesylate
• Synonyms: ECOENG 110; 1-Ethyl-3-methylimidazolium methanesulfonate; Basionics® ST 35; 1-乙基-3-甲基咪唑甲基磺酸盐

Database IDs

• CAS Number: 145022-45-3
• MDL Number: MFCD06798171
• PubChem SID: 162234561; 24857440
• PubChem CID: 16211849

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

• Melting Point: 35°C
• Flash Point: 286 °C; 546.8 °F; 66°C(152°F)
• Density: 1.247
• Refractive Index: 1.4970

Safety Information

• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3265; UN3265
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34; 43-52/53
• Safety Statements: 20-26-36/37/39-45; 36/37-61
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318-H227; H317-H412
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P273-P280
• 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%; ≥98%; 99%
• Grade: produced by BASF
• Impurities: ≤0.5% water; ≤1.0% water
• Antion Traces: chloride (Cl-): ≤2%
• Empirical Formula (Hill Notation): C7H14N2O3S

DETAILS

Sigma Aldrich - 29164

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

Sigma Aldrich - 52924

Application
Basionic Ionic Liquids