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

• Catalog: OFC1228185098
• CAS: 1228185-09-8
• Category: Other Fluorinated Group Introducing Agents
• Purity: >98.0%(T)
• MDL Number: MFCD23703069

• IUPAC Name: 2-chloro-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride
• InChI: InChI=1S/C27H36ClN2.ClH/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/q+1;/p-1
• InChI Key: JDMACANGISWEGX-UHFFFAOYSA-M
• 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.[Cl-]
• EC Number: 811-743-2
• Reaxys Registry Number: 20437363

• Molecular Formula: C27H36Cl2N2
• Molecular Weight: 459.50
• Melting Point: 284 °C
• Appearance: White to almost white powder to crystal
• Storage: Store under inert gas
• Stability: Air sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 458.2255545 g/mol
• Monoisotopic Mass: 458.2255545 g/mol
• Topological Polar Surface Area: 8.8Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 453

• HS Number: 2933.29.9000