4-Methyl-3-Methylsulfonyl-5-Phenyl-1,2,4-Triazole
[CAS# 116850-44-3]

Identification

• Name: 4-Methyl-3-Methylsulfonyl-5-Phenyl-1,2,4-Triazole
• Synonyms: 3-Mesyl-4-Methyl-5-Phenyl-1,2,4-Triazole; Mdl 27531; 4-Methyl-3-(Methylsulfonyl)-5-Phenyl-4H-1,2,4-Triazole
• Molecular Formula: C₁₀H₁₁N₃O₂S
• Molecular Weight: 237.28
• CAS Registry Number: 116850-44-3
• SMILES: C2=C(C1=NN=C([S](=O)(=O)C)[N]1C)C=CC=C2
• InChI: 1S/C10H11N3O2S/c1-13-9(8-6-4-3-5-7-8)11-12-10(13)16(2,14)15/h3-7H,1-2H3
• InChIKey: DPGDRICHXKQXEN-UHFFFAOYSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 450.66°C at 760 mmHg (Cal.)
• Flash point: 226.351°C (Cal.)