2,4-Pentanedione, 3-nitro-
3-nitropentane-2,4-dione
Also Known As: 3-nitropentane-2,4-dione|3-Nitro-acetylaceton|2,4-Pentanedione, 3-nitro-|3-nitro-2,4-pentanedione|3-Nitro-2,4-pentadione|3-nitro-pentane-2,4-dione|J3.489.441H
CAS: 32113-67-0
| Molecular Formula | C5H7NO4 |
|---|---|
| Molecular Weight | 145.0375 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.0375 |
| Monoisotopic Mass | 145.0375 |
| Heavy Atoms | 10 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 32113-67-0 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)[N+](=O)[O-] |
| InChIKey | TZYZJJBYPMTHJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Pharmaceutical Intermediates (1 patents)
Product Overview
2,4-Pentanedione, 3-nitro- (CAS 32113-67-0), with molecular formula C5H7NO4 and molecular weight 145.0375 g/mol. IUPAC: 3-nitropentane-2,4-dione.
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 →
2,4-Pentanedione, 3-nitro- is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »