4-Methyl-3-(Methylsulfonyl)-5-(5-Nitrofuran-2-Yl)-4H-1,2,4-Triazole
[CAS# 41735-56-2]

Identification

• Name: 4-Methyl-3-(Methylsulfonyl)-5-(5-Nitrofuran-2-Yl)-4H-1,2,4-Triazole
• Synonyms: 4-Methyl-3-Methylsulfonyl-5-(5-Nitro-2-Furyl)-1,2,4-Triazole; 3-Mesyl-4-Methyl-5-(5-Nitro-2-Furyl)-1,2,4-Triazole; 4-Methyl-3-Methylsulfonyl-5-(5-Nitro-2-Furyl)-
• Molecular Formula: C₈H₈N₄O₅S
• Molecular Weight: 272.24
• CAS Registry Number: 41735-56-2
• SMILES: C1=C(OC(=C1)[N+]([O-])=O)C2=NN=C([S](=O)(=O)C)[N]2C
• InChI: 1S/C8H8N4O5S/c1-11-7(9-10-8(11)18(2,15)16)5-3-4-6(17-5)12(13)14/h3-4H,1-2H3
• InChIKey: BOBQQFAKASIJKC-UHFFFAOYSA-N

Properties

• Density: 1.755g/cm³ (Cal.)
• Boiling point: 518.128°C at 760 mmHg (Cal.)
• Flash point: 267.154°C (Cal.)