1-(Mesitylsulfonyl)-4-nitro-1H-imidazole
[CAS# 71100-55-5]

Identification

• Name: 1-(Mesitylsulfonyl)-4-nitro-1H-imidazole
• Synonyms: 1-(MESITYLENE-2-SULFONYL)-4-NITROIMIDAZOLE
• Molecular Formula: C₁₂H₁₃N₃O₄S
• Molecular Weight: 295.31
• CAS Registry Number: 71100-55-5
• SMILES: O=[N+]([O-])c1ncn(c1)S(=O)(=O)c2c(cc(cc2C)C)C
• InChI: 1S/C12H13N3O4S/c1-8-4-9(2)12(10(3)5-8)20(18,19)14-6-11(13-7-14)15(16)17/h4-7H,1-3H3
• InChIKey: PAKWZTBBQYPFSX-UHFFFAOYSA-N

Properties

• Density: 1.424g/cm³ (Cal.)
• Boiling point: 509.988°C at 760 mmHg (Cal.)
• Flash point: 262.232°C (Cal.)