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

• ChemBase ID: 141820
• Molecular Formular: C6H11IN2
• Molecular Mass: 238.06941
• Monoisotopic Mass: 237.99669636
• SMILES: CCn1cc[n+](c1)C.[I-]
• Canonical SMILES: CCn1cc[n+](c1)C.[I-]
• InChI: InChI=1S/C6H11N2.HI/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
• InChIKey: IKQCDTXBZKMPBB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium iodide
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium iodide
• Synonyms: 1-Ethyl-3-methylimidazolium iodide; 1-乙基-3-甲基碘化咪唑鎓

Database IDs

• CAS Number: 35935-34-3
• MDL Number: MFCD03701101
• Beilstein Number: 5160333
• PubChem SID: 162236054
• PubChem CID: 11075478

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

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 37/38-41
• Safety Statements: 26-37-60; 26-39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥96.5% (HPLC); 97%
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C6H11IN2

DETAILS

Sigma Aldrich - 713031

Packaging
5, 50 g in poly bottle