97% , 705-19-1

CAS NO.：705-19-1

Empirical Formula: C6H9N3O3

Molecular Weight: 171.15

MDL number: MFCD00196022

PRODUCT Properties

• Melting point: 140 °C
• Boiling point: 405.4±25.0 °C(Predicted)
• Density: 1.45±0.1 g/cm3(Predicted)
• storage temp.: Refrigerator
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 14.44±0.10(Predicted)
• color: Off-White to Orange
• Major Application: pharmaceutical
• InChI: 1S/C6H9N3O3/c1-5-7-6(9(11)12)4-8(5)2-3-10/h4,10H,2-3H2,1H3
• InChIKey: RSXWJXPKLRYMHW-UHFFFAOYSA-N
• SMILES: [N+](=O)([O-])c1nc([n](c1)CCO)C

Description and Uses

Isometronidazole (Metronidazole EP Impurity E) is an impurity of Metronidazole (M338880), a chemotherapeutic agent that is used as a first line defense against Clostridium difficile (C.diff). Isometronidazole is also a hypoxic cell sensitizer in humans and mice.

Safety

• WGK Germany: WGK 3
• Storage Class: 11 - Combustible Solids