2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride - Cesium Fluoride

• Catalog: OFC1648825539-1
• CAS: 1648825-53-9
• Category: Nucleophilic Fluorination Agents
• Synonyms: PhenoFluor(C)Mix

• IUPAC Name: cesium;2-chloro-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride;fluoride
• InChI: InChI=1S/C27H36ClN2.ClH.Cs.FH/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8;;;/h9-20H,1-8H3;1H;;1H/q+1;;+1;/p-2
• InChI Key: AHNDOFVAHQKSBA-UHFFFAOYSA-L
• Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2Cl)C3=C(C=CC=C3C(C)C)C(C)C.[F-].[Cl-].[Cs+]

• Molecular Formula: C27H36Cl2N2·xCsF
• Melting Point: 229 °C
• Appearance: White to almost white powder to crystal
• Storage: Store under inert gas
• Stability: Moisture sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 610.1294097 g/mol
• Monoisotopic Mass: 610.1294097 g/mol
• Topological Polar Surface Area: 8.8Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 453

• HS Number: 2933.29.9000