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| IUPAC Name: | 3,4-dinitrobenzoic acid |
| Description: | 3,4-Dinitrobenzoic Acid (CAS# 528-45-0) is used for the synthesis of more complex compounds such as metabolites of Brimonidine (B677520). It is also a specific substrate of glutathione S-transferase (GST), that can be used for the enzyme imaging and studies. It is an important corrosion inhibitor and is also used in photography. |
| Molecular Weight: | 212.12 |
| Molecular Formula: | C7H4N2O6 |
| Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChI: | InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11) |
| InChI Key: | OMVRRHJJQILIJX-UHFFFAOYSA-N |
| Boiling Point: | 459 °C at 760 mmHg |
| Density: | 1.688 g/cm3 |
| Appearance: | Off-white or yellow crystalline solid |
| MDL: | MFCD00007255 |
| LogP: | 2.24760 |
| Vapor Pressure: | 0.00000141 [mmHg] |
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