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Name |
4-Nitropyridine-2-carboxylic acid 1-oxide |
EINECS | 239-008-6 |
CAS No. | 14933-78-9 | Density | 1.69g/cm3 |
PSA | 108.58000 | LogP | 1.24470 |
Solubility | N/A | Melting Point |
148 °C |
Formula | C6H4N2O5 | Boiling Point | 553.6 °C at 760 mmHg |
Molecular Weight | 184.108 | Flash Point | 288.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Picolinicacid, 4-nitro-, 1-oxide (6CI,7CI,8CI);2-Carboxy-4-nitropyridine N-oxide;2-Carboxylic acid-4-nitropyridine-1-oxide;4-Nitro-2-pyridinecarboxylic acid1-oxide;4-Nitropicolinic acid N-oxide;NSC 63059; |
Article Data | 7 |
The 4-Nitropyridine-2-carboxylic acid 1-oxide with cas registry number of 14933-78-9, belongs to the following product categorie: Pyridines. It has the systematic name of 4-nitropyridine-2-carboxylic acid 1-oxide. And its IUPAC name is 4-nitro-1-oxidopyridin-1-ium-2-carboxylic acid.
Physical properties about this chemical are: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.81; (4)ACD/LogD (pH 7.4): -3.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 96.23 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 39.81 cm3; (15)Molar Volume: 108.6 cm3; (16)Polarizability: 15.78×10-24cm3; (17)Surface Tension: 82.8 dyne/cm; (18)Enthalpy of Vaporization: 87.8 kJ/mol; (19)Vapour Pressure: 4.34E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1[n+]([O-])ccc([N+]([O-])=O)c1;
(2)InChI: InChI=1/C6H4N2O5/c9-6(10)5-3-4(8(12)13)1-2-7(5)11/h1-3H,(H,9,10);
(3)InChIKey: KKYQRQZYRFVFTG-UHFFFAOYAC;
(4)Std. InChI: InChI=1S/C6H4N2O5/c9-6(10)5-3-4(8(12)13)1-2-7(5)11/h1-3H,(H,9,10);
(5)Std. InChIKey: KKYQRQZYRFVFTG-UHFFFAOYSA-N