2-Methylpentyl 3,5-dinitrobenzoate
2-methylpentyl 3,5-dinitrobenzoate
Also Known As: 2-methylpentyl 3,5-dinitrobenzoate|1-Pentanol, 3,5-dinitrobenzoate|2-Methylpentanol 3,5-dinitrobenzoate|1-Pentanol, 2-methyl-, 3,5-dinitrobenzoate
CAS: 66516-52-7
| Molecular Formula | C13H16N2O6 |
|---|---|
| Molecular Weight | 296.10083 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.10083 |
| Monoisotopic Mass | 296.10083 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 66516-52-7 |
|---|---|
| SMILES | CCCC(C)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MYVAWRQTVWUGOR-UHFFFAOYSA-N |
Product Overview
2-Methylpentyl 3,5-dinitrobenzoate (CAS 66516-52-7), with molecular formula C13H16N2O6 and molecular weight 296.10083 g/mol. IUPAC: 2-methylpentyl 3,5-dinitrobenzoate.
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 →
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