1-Ethyl-3-methylimidazolium Thiocyanate

• CAS: 331717-63-6
• Catalog Number: ACM331717636
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 169.25
• Molecular Formula: C7H11N3S
• Synonyms: EMIMSCN
• IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;thiocyanate
• Canonical SMILES: CCN1C=C[N+](=C1)C.C(#N)[S-]
• InChI: 1S/C6H11N2.CHNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;3H/q+1;/p-1
• InChI Key: VASPYXGQVWPGAB-UHFFFAOYSA-M
• Boiling Point: >350 °C (lit.)
• Melting Point: -6 °C
• Flash Point: Not applicable
• Density: 1.12 g/cm³
• Appearance: Colorless to Light orange to Yellow clear liquid
• Application: intermediate
• Storage: 2-8°C
• Abbreviation: EMIMSCN
• Chemical Formula: [EMIM]SCN
• Complexity: 104
• Covalently-Bonded Unit Count: 2
• Exact Mass: 169.067369g/mol
• Formal Charge: 0
• Hazard Statements: H302+H312+H332-H315-H319-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 11
• MDL Number: MFCD06798182
• Monoisotopic Mass: 169.067369g/mol
• Precautionary Statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P332+P313-P362-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P233-P405
• Refractive Index: n20/D 1.41
• Rotatable Bond Count: 1
• Signal Word: Warning
• Viscosity: 24.7 cP

Synthetic Use

Upstream Synthesis Route 1

• 1147550-11-5
• 143314-17-4

• 331717-63-6

Reference: [1]Patent: US2010/217010,2010,A1 .Location in patent: Page/Page column 9

Upstream Synthesis Route 2

• 65039-08-9

• 331717-63-6

Reference: [1]Yu, Ying Hao; Jiang, Peng; Wang, Fu Rong; Wang, Le Fu; Li, Xue Hui
[Science China Chemistry, 2012, vol. 55, # 8, p. 1608 - 1613]