Ethyl 4-methyl-3,5-dinitrobenzoate
ethyl 4-methyl-3,5-dinitrobenzoate
Also Known As: ethyl 4-methyl-3,5-dinitrobenzoate|4-Methyl-3,5-dinitro-benzoic acid ethyl ester|ethyl 4-methyl-3,5-dinitro-benzoate|3,5-Dinitro-p-toluylsaeure-ethylester|4-Methyl-3,5-dinitrobenzoic acid ethyl ester|Benzoic acid, 4-methyl-3,5-dinitro-, ethyl ester
CAS: 61329-35-9
| Molecular Formula | C10H10N2O6 |
|---|---|
| Molecular Weight | 254.05388 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.05388 |
| Monoisotopic Mass | 254.05388 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 61329-35-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | PSWSYSXZAYFPQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (3 patents)
Product Overview
Ethyl 4-methyl-3,5-dinitrobenzoate (CAS 61329-35-9), with molecular formula C10H10N2O6 and molecular weight 254.05388 g/mol. IUPAC: ethyl 4-methyl-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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