1-[7-(4-Ethyl-5-Methyl-2H-1,2,3-Triazol-2-Yl)-2-Oxo-2H-1-Benzopyran-3-Yl]-4-Methyl-1H-1,2,4-Triazolium Methyl Sulphate
[CAS# 29641-53-0]

Identification

• Name: 1-[7-(4-Ethyl-5-Methyl-2H-1,2,3-Triazol-2-Yl)-2-Oxo-2H-1-Benzopyran-3-Yl]-4-Methyl-1H-1,2,4-Triazolium Methyl Sulphate
• Synonyms: 7-(4-Ethyl-5-Methyl-Triazol-2-Yl)-3-(4-Methyl-5H-1,2,4-Triazol-1-Ium-1-Yl)Chromen-2-One; Methyl Sulfate; 7-(4-Ethyl-5-Methyl-2-Triazolyl)-3-(4-Methyl-5H-1,2,4-Triazol-1-Ium-1-Yl)-2-Chromenone; Methyl Sulfate; 7-(4-Ethyl-5-Methyl-Triazol-2-Yl)-3-(4-Methyl-5H-1,2,4-Triazol-1-Ium-1-Yl)Coumarin; Methyl Sulfate
• Molecular Formula: C₁₈H₂₂N₆O₆S
• Molecular Weight: 450.47
• CAS Registry Number: 29641-53-0
• EINECS: 249-749-7
• SMILES: C1=C4C(=CC=C1[N]2N=C(C(=N2)CC)C)C=C([NH+]3N=CN(C3)C)C(O4)=O.CO[S](=O)(=O)[O-]
• InChI: 1S/C17H18N6O2.CH4O4S/c1-4-14-11(2)19-23(20-14)13-6-5-12-7-15(17(24)25-16(12)8-13)22-10-21(3)9-18-22;1-5-6(2,3)4/h5-9H,4,10H2,1-3H3;1H3,(H,2,3,4)
• InChIKey: FJFKCKQUPJGLTM-UHFFFAOYSA-N

Properties

• Boiling point: 547.4°C at 760 mmHg (Cal.)
• Flash point: 284.9°C (Cal.)