5-Phenoxysulfonyl-1-Methyl-4-Nitroimidazole
[CAS# 6954-35-4]

Identification

• Name: 5-Phenoxysulfonyl-1-Methyl-4-Nitroimidazole
• Synonyms: Phenyl 3-Methyl-5-Nitro-Imidazole-4-Sulfonate; 3-Methyl-5-Nitro-4-Imidazolesulfonic Acid Phenyl Ester; 3-Methyl-5-Nitro-Imidazole-4-Sulfonic Acid Phenyl Ester
• Molecular Formula: C₁₀H₉N₃O₅S
• Molecular Weight: 283.26
• CAS Registry Number: 6954-35-4
• SMILES: C1=NC(=C([N]1C)[S](=O)(=O)OC2=CC=CC=C2)[N+]([O-])=O
• InChI: 1S/C10H9N3O5S/c1-12-7-11-9(13(14)15)10(12)19(16,17)18-8-5-3-2-4-6-8/h2-7H,1H3
• InChIKey: UFAZASYMNCMYTC-UHFFFAOYSA-N

Properties

• Density: 1.544g/cm³ (Cal.)
• Boiling point: 552.393°C at 760 mmHg (Cal.)
• Flash point: 287.877°C (Cal.)