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Name |
3-Fluoro-4-nitropyridine 1-oxide |
EINECS | 813-990-1 |
CAS No. | 769-54-0 | Density | 1.56 g/cm3 |
PSA | 71.28000 | LogP | 1.68560 |
Solubility | N/A | Melting Point |
122 °C |
Formula | C5H3FN2O3 | Boiling Point | 417.9 °C at 760 mmHg |
Molecular Weight | 158.089 | Flash Point | 206.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Fluoro-4-nitropyridine N-oxide; |
Article Data | 10 |
The 3-Fluoro-4-nitropyridine N-oxide is an organic compound with the formula C5H3FN2O3. The IUPAC name of this chemical is 3-fluoro-1-hydroxy-4-nitropyridin-1-ium. With the CAS registry number 769-54-0, it is also named as pyridine, 3-fluoro-4-nitro-, 1-oxide. The product's categories are Pyridine; Pyridines.
Physical properties about 3-Fluoro-4-nitropyridine N-oxide are: (1)ACD/LogP: -0.81; (2)ACD/LogD (pH 5.5): -0.81; (3)ACD/LogD (pH 7.4): -0.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.64; (7)ACD/KOC (pH 7.4): 8.64; (8)#H bond acceptors: 5 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 69.93 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 33.37 cm3; (13)Molar Volume: 100.7 cm3; (14)Polarizability: 13.23×10-24cm3; (15)Surface Tension: 57.9 dyne/cm; (16)Density: 1.56 g/cm3; (17)Flash Point: 206.5 °C; (18)Enthalpy of Vaporization: 64.53 kJ/mol; (19)Boiling Point: 417.9 °C at 760 mmHg; (20)Vapour Pressure: 8.3E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc[n+]([O-])cc1F
(2)InChI: InChI=1/C5H3FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
(3)InChIKey: QHWIGULJOZAPAQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H3FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
(5)Std. InChIKey: QHWIGULJOZAPAQ-UHFFFAOYSA-N