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| IUPAC Name: | 2-nitrobenzoic acid |
| Description: | 2-Nitrobenzoic acid (CAS# 552-16-9) is used as a reagent in the synthesis of several organic compounds including that of novel triazoles and a tetrazole of escitalopram which act as cholinesterase inhibitors. It is also used in the one pot synthesis of 1,4-disubstituted 1,2,3-triazoles. |
| Molecular Weight: | 167.12 |
| Molecular Formula: | C7H5NO4 |
| Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-] |
| InChI: | InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10) |
| InChI Key: | SLAMLWHELXOEJZ-UHFFFAOYSA-N |
| Boiling Point: | 340.7 °C at 760 mmHg |
| Melting Point: | 141-148 °C |
| Density: | 1.58 g/cm3 |
| Solubility: | less than 1 mg/mL at 73 °F |
| Appearance: | Yellowish white crystals with an intensely sweet taste. |
| Storage: | Store at RT. |
| MDL: | MFCD00007137 |
| LogP: | 1.81620 |
| Vapor Pressure: | 0.0000714 [mmHg] |
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