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CAS No.: | 30651-24-2 |
---|---|
Name: | 5-Nitropyridine-2-carboxylic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H4N2O4 |
Molecular Weight: | 168.109 |
Synonyms: | Picolinicacid, 5-nitro- (6CI,8CI);5-Nitro-2-pyridinecarboxylic acid;5-Nitropicolinicacid; |
Density: | 1.571 g/cm3 |
Melting Point: | 218-220 °C |
Boiling Point: | 389.829 °C at 760 mmHg |
Flash Point: | 189.562 °C |
Appearance: | Light Yellow Solid |
Hazard Symbols: | Xn |
Risk Codes: | 22-20/21/22 |
Safety: | 24/25-36/37 |
PSA: | 96.01000 |
LogP: | 1.21120 |
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The 5-Nitropyridine-2-carboxylic acid is also the systematic name and IUPAC name of this chemical. With cas register number of 30651-24-2, it is also called 5-Nitro-2-picolinic acid; 3-Nitro-6-pyridinecarboxylic acid. This chemical has an appearance of light yellow solid. It belongs to categories in Acids and Derivatives; Heterocycles; Carboxylic Acids; Pyridines; Aromatics Compounds; Aromatics; Carboxylic Acids.
Physical properties about this chemical are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2 ; (10)Index of Refraction: 1.625; (11)Molar Refractivity: 37.82 cm3; (12)Molar Volume: 107.028 cm3 ; (13)Surface Tension: 78.949 dyne/cm; (14)Density: 1.571 g/cm3; (15)Flash Point: 189.562 °C; (16)Enthalpy of Vaporization: 67.419 kJ/mol; (17)Boiling Point: 389.829 °C at 760 mmHg.
Preparation of 5-Nitropyridine-2-carboxylic acid: this chemical can be made by 2-methyl-5-nitro-pyridine by using reagents chromium trioxide / conc. H2SO4 at ambient temperature with yield of 83%.
Uses of 5-Nitropyridine-2-carboxylic acid: this chemical can be prepared by 5-amino-pyridine-2-carboxylic acid by using reagents 25percent aq. NH3, H2S at reaction temperature of 125 - 135 ℃ with yield of 86%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ncc1N(=O)=O)C(=O)O;
(2)InChI: InChI=1/C6H4N2O4/c9-6(10)5-2-1-4(3-7-5)8(11)12/h1-3H,(H,9,10);
(3)InChIKey: QKYRCTVBMNXTBT-UHFFFAOYAE