3,4-Dimethyl-2,6-dinitrophenol
3,4-dimethyl-2,6-dinitrophenol
Also Known As: 3,4-dimethyl-2,6-dinitrophenol|3,4-dimethyl-2,6-dinitro-phenol|2,6-dinitro-3,4-xylenol|2,6-dinitro-3,4-dimethylphenol|SP383|AE-848/00235006
CAS: 4097-61-4
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04332 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.04332 |
| Monoisotopic Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 4097-61-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | HWYUVFKGQPJIFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (22 patents)
Product Overview
3,4-Dimethyl-2,6-dinitrophenol (CAS 4097-61-4), with molecular formula C8H8N2O5 and molecular weight 212.04332 g/mol. IUPAC: 3,4-dimethyl-2,6-dinitrophenol.
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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