1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone 4-methylbenzenesulfonate (1:1)
[CAS# 79146-63-7]

Identification

• Name: 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone 4-methylbenzenesulfonate (1:1)
• Synonyms: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-imidazole mono(toluene-4-sulphonate)
• Molecular Formula: C₁₈H₁₆Cl₂N₂O₄S
• Molecular Weight: 427.30
• CAS Registry Number: 79146-63-7
• EINECS: 279-097-9
• SMILES: O=C(Cn1ccnc1)c2ccc(Cl)cc2Cl.OS(=O)(=O)c1ccc(C)cc1
• InChI: 1S/C11H8Cl2N2O.C7H8O3S/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7H,6H2;2-5H,1H3,(H,8,9,10)
• InChIKey: NTDDQTLMDLQJOU-UHFFFAOYSA-N

Properties

• Boiling point: 663.7°C at 760 mmHg (Cal.)
• Flash point: 355.2°C (Cal.)