1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride

• Catalog Number: ACM141556458-2
• Product Name: 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride
• CAS: 141556-45-8
• Category: Organic Phosphine Compounds
• Synonyms: 1,3-Dimesityl-1H-Imidazol-3-Ium Chloride; 1,3-Dimesitylimidazolium Chloride
• IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride
• Molecular Weight: 340.89
• Molecular Formula: C21H25ClN2
• Canonical SMILES: CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-]
• InChI: OTOSIXGMLYKKOW-UHFFFAOYSA-M
• InChI Key: InChI=1S/C21H25N2.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h7-13H,1-6H3;1H/q+1;/p-1
• Melting Point: >300 °C-lit.
• Solubility: Soluble in methanol,slightly soluble in water.
• Appearance: Off-white to yellow powder
• Storage: room temperature
• Complexity: 335
• Covalently-Bonded Unit Count: 2
• Exact Mass: 340.171g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 24
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-]
• Monoisotopic Mass: 340.171g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 8.8A^2