1-Butyl-3-methylimidazolium Dicyanamide

• CAS: 448245-52-1
• Catalog Number: ACM448245521
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 205.27
• Molecular Formula: C10H15N5
• Synonyms: BMIMDCA
• IUPAC Name: 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide
• Canonical SMILES: CCCCN1C=C[N+](=C1)C.C(=[N-])=NC#N
• InChI: 1S/C8H15N2.C2N3/c1-3-4-5-10-7-6-9(2)8-10;3-1-5-2-4/h6-8H,3-5H2,1-2H3;/q+1;-1
• InChI Key: ICIVTHOGIQHZRY-UHFFFAOYSA-N
• Melting Point: ~70 °C
• Flash Point: 377.6 °F
• Appearance: Colorless to Red to Green clear liquid
• Application: 1-Butyl-3-methylimidazolium dicyanamide is an ionic liquid
• Storage: Store under inert gas, -20℃
• Abbreviation: BMIMN(CN)2
• Chemical Formula: BMIMN(CN)2
• Complexity: 179
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 2
• Exact Mass: 205.132746g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 15
• MDL Number: MFCD07784457
• Monoisotopic Mass: 205.132746g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.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.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
• Refractive Index: n20/D 1.428
• Rotatable Bond Count: 3
• Signal Word: Warning
• Specific Gravity: 1.07

Synthetic Use

Upstream Synthesis Route 1

• 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]

Upstream Synthesis Route 2

• 1934-75-4
• 79917-90-1

• 448245-52-1

Reference: [1]Location in patent: experimental part
Vendilo; Roenkkoemaeki; Hannu-Kuure; Lajunen; Asikkala; Krasovsky; Chernikova; Oksman; Lajunen; Tuomi; Popov
[Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2010, vol. 66, # 3, p. 223 - 230]