4-(3-Nitro-1H-1,2,4-triazol-1-yl)-2-butanone
4-(3-nitro-1,2,4-triazol-1-yl)butan-2-one
Also Known As: 4-(3-nitro-1H-1,2,4-triazol-1-yl)butan-2-one|4-(3-nitro-1,2,4-triazol-1-yl)butan-2-one|CHEMBRDG-BB 5355531|CHEMBRDG-BB5355531|3-nitro-1,2,4-triazol-1-ylbutan-3-one|4-(3-Nitro-1H-1,2,4-triazol-1-yl)-2-butanone|Y-0876|804-838-5
CAS: 60728-92-9
| Molecular Formula | C6H8N4O3 |
|---|---|
| Molecular Weight | 184.05965 g/mol |
| LogP | 0.1654 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.05965 |
| Monoisotopic Mass | 184.05965 |
| Heavy Atoms | 13 |
| Complexity | 332.37527 |
Chemical Identifiers
| CAS Number | 60728-92-9 |
|---|---|
| SMILES | CC(=O)CCN1C=NC(=N1)[N+](=O)[O-] |
Product Overview
4-(3-Nitro-1H-1,2,4-triazol-1-yl)-2-butanone (CAS 60728-92-9), with molecular formula C6H8N4O3 and molecular weight 184.05965 g/mol. IUPAC: 4-(3-nitro-1,2,4-triazol-1-yl)butan-2-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
4-(3-Nitro-1H-1,2,4-triazol-1-yl)-2-butanone is a custom synthesis product. We offer services from milligram to kilogram scale.
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