1-Hexyl-3-methylimidazolium Trifluoromethanesulfonate

• CAS: 460345-16-8
• Catalog Number: ACM460345168
• Category: Other Products
• Molecular Weight: 316.33999999999997
• Molecular Formula: C11H19F3N2O3S
• Synonyms: 1-Hexyl-3-methylimidazolium Triflate
• IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
• Canonical SMILES: CCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
• InChI: 1S/C10H19N2.CHF3O3S/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3,4)8(5,6)7/h8-10H,3-7H2,1-2H3;(H,5,6,7)/q+1;/p-1
• InChI Key: RABFGPMWVQNDHI-UHFFFAOYSA-M
• Appearance: Light yellow to Yellow to Orange clear liquid
• Application: Synthesis and catalysis,Biotechnology,Separation and extraction
• Storage: Store under inert gas
• Chemical Formula: HMIMOTF
• Complexity: 259
• Condition To Avoid: Moisture Sensitive
• Covalently-Bonded Unit Count: 2
• Exact Mass: 316.106848g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Heavy Atom Count: 20
• MDL Number: MFCD03427621
• Monoisotopic Mass: 316.106848g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: 1.44
• Rotatable Bond Count: 5
• Signal Word: Warning
• Specific Gravity: 1.24

Synthetic Use

Upstream Synthesis Route 1

• 616-47-7
• 111-25-1
• 2926-27-4

• 460345-16-8

Reference: [1]Estager, Julien; Lévêque, Jean-Marc; Cravotto, Giancarlo; Boffa, Luisa; Bonrath, Werner; Draye, Micheline
[Synlett, 2007, # 13, p. 2065 - 2068]

Upstream Synthesis Route 2

• 333-27-7
• 171058-17-6

• 460345-16-8

Reference: [1]Patent: WO2006/63656,2006,A1 .Location in patent: Page/Page column 24

Upstream Synthesis Route 3

• 27607-77-8
• 171058-17-6

• 460345-16-8

Reference: [1]Patent: WO2006/63656,2006,A1 .Location in patent: Page/Page column 27-28