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Basic Information
CAS No.: 2047-49-6
Name: 5-NITRONICOTINIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 2047-49-6 (5-NITRONICOTINIC ACID)
Formula: C6H4N2O4
Molecular Weight: 168.109
Synonyms: 3-Carboxy-5-nitropyridine;5-Nitro-3-pyridinecarboxylic acid;Nicotinicacid, 5-nitro- (6CI,7CI,8CI);
Density: 1.571 g/cm3
Melting Point: 171-173 °C
Boiling Point: 369.477 °C at 760 mmHg
Flash Point: 177.254 °C
Hazard Symbols: IrritantXi
Safety: 24/25
PSA: 96.01000
LogP: 1.21120
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Chemistry

IUPAC Name: 5-Nitropyridine-3-carboxylic acid
Synonyms of 5-Nitronicotinic acid (CAS NO.2047-49-6): 5-Nitropyridine-3-carboxylic acid ; 5-Nitro-3-pyridinecarboxylic acid
CAS NO: 2047-49-6
Molecular Formula: C6H4N2O4
Molecular Weight: 168.11
Molecular Structure:
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 85.01 Å2
Index of Refraction: 1.624
Molar Refractivity: 37.81 cm3
Molar Volume: 107 cm3
Surface Tension: 78.9 dyne/cm
Density: 1.57 g/cm3
Flash Point: 177.3 °C
Enthalpy of Vaporization: 65.02 kJ/mol
Boiling Point: 369.5 °C at 760 mmHg
Vapour Pressure: 4.12E-06 mmHg at 25°C
Melting Point: 171-173°C
SMILES: O=[N+]([O-])c1cc(C(=O)O)cnc1
InChI: InChI=1/C6H4N2O4/c9-6(10)4-1-5(8(11)12)3-7-2-4/h1-3H,(H,9,10)
InChIKey: TZAGBVHIUUFVCJ-UHFFFAOYAV
Std. InChI: InChI=1S/C6H4N2O4/c9-6(10)4-1-5(8(11)12)3-7-2-4/h1-3H,(H,9,10)
Std. InChIKey: TZAGBVHIUUFVCJ-UHFFFAOYSA-N
Product Categories of 5-Nitronicotinic acid (CAS NO.2047-49-6): blocks;Carboxes;Pyridines;pharmacetical;Pyridine series;Pyridines derivates

Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant