1-Butyl-3-methylimidazolium bromide

• CAS: 85100-77-2
• Catalog Number: ACM85100772
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 219.13
• Molecular Formula: C8H15BrN2
• Description: 1-Butyl-3-methylimidazolium bromide is a neutral ionic liquid. It can be used as a solvent for the preparation of 1,2,4,5-substituted imidazoles.
• Synonyms: BMIMBr
• IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide
• Canonical SMILES: CCCCN1C=C[N+](=C1)C.[Br-]
• InChI: 1S/C8H15N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1
• InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M
• Melting Point: 37 °C
• Flash Point: Not applicable
• Appearance: White to Orange to Green powder to lump
• Application: CAS: 85100-77-2, MF: C8H15BrN2, MW: 219.12
• Storage: Store under inert gas, -20℃
• Abbreviation: BMIMBr
• Chemical Formula: [Bmim]Br
• Complexity: 93.3
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• Exact Mass: 218.04186g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 11
• MDL Number: MFCD03427611
• Monoisotopic Mass: 218.04186g/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: n20/D 1.428
• Rotatable Bond Count: 3
• Signal Word: Warning
• Solubility In Water: Soluble
• Specific Gravity: 1.12

Synthetic Use

Upstream Synthesis Route 1

• 4316-42-1
• 74-83-9

• 85100-77-2

Reference: [1] Journal of Molecular Catalysis A: Chemical, 2014, vol. 385, p. 98 - 105
[2] Chemical Communications, 2004, # 5, p. 590 - 591

Upstream Synthesis Route 2

• 616-47-7
• 109-65-9

• 85100-77-2

Reference: [1] Synthesis, 2000, # 9, p. 1253 - 1258

Upstream Synthesis Route 3

• 4316-42-1
• 149-73-5

• 85100-77-2

Reference: [1] Green Chemistry, 2014, vol. 16, # 9, p. 4098 - 4101
[2] Patent: KR2015/79403, 2015, A, . Location in patent: Paragraph 0049-0052

Downstream Synthesis Route 1

• 85100-77-2

• 174501-65-6

Reference: [1]Chemistry - A European Journal,2010,vol. 16,p. 6748 - 6751

Downstream Synthesis Route 2

• 1934-75-4
• 85100-77-2

• 448245-52-1

Reference: [1]Guglielmero; Langroudi, Mo. Meskinfam; Khatib, M. Al; de Oliveira, M. Aysla Costa; Mecheri; De Leo; Mezzetta; Guazzelli; Giglioli; Epifanio, A. D'; Pogni; Chiappe; Pomelli
[Electrochimica Acta, 2021, vol. 373]
[2]Crosthwaite, Jacob M.; Aki, Sudhir N. V. K.; Maginn, Edward J.; Brennecke, Joan F.
[Journal of Physical Chemistry B, 2004, vol. 108, # 16, p. 5113 - 5119]

Downstream Synthesis Route 3

• 85100-77-2
• 90076-65-6

• 174899-83-3

Reference: [1]Chemistry - A European Journal,2010,vol. 16,p. 6748 - 6751

* For details of the synthesis route, please refer to the original source to ensure accuracy.