Valconazole
[CAS# 56097-80-4]

Identification

• Name: Valconazole
• Synonyms: 2-(2,4-Dichlorophenoxy)-1-Imidazol-1-Yl-4,4-Dimethyl-Pentan-3-One; 2-(2,4-Dichlorophenoxy)-1-(1-Imidazolyl)-4,4-Dimethylpentan-3-One; Valconazole
• Molecular Formula: C₁₆H₁₈Cl₂N₂O₂
• Molecular Weight: 341.24
• CAS Registry Number: 56097-80-4
• SMILES: C2=C(OC(C[N]1C=CN=C1)C(C(C)(C)C)=O)C(=CC(=C2)Cl)Cl
• InChI: 1S/C16H18Cl2N2O2/c1-16(2,3)15(21)14(9-20-7-6-19-10-20)22-13-5-4-11(17)8-12(13)18/h4-8,10,14H,9H2,1-3H3
• InChIKey: JDSGUKVHXNGRIP-UHFFFAOYSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 501.123°C at 760 mmHg (Cal.)
• Flash point: 256.87°C (Cal.)