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Name |
4-Hydroxy-3-nitropyridine |
EINECS | -0 |
CAS No. | 15590-90-6 | Density | 1.449 g/cm3 |
PSA | 78.68000 | LogP | 0.80630 |
Solubility | N/A | Melting Point |
285 °C (dec.)(lit.) |
Formula | C5H4N2O3 | Boiling Point | 254.768 °C at 760 mmHg |
Molecular Weight | 140.098 | Flash Point | 107.88 °C |
Transport Information | N/A | Appearance | yellow crystallization |
Safety | 26-36/37/39-24/25-22-15 | Risk Codes | 36/37/38-40-20/22 |
Molecular Structure | Hazard Symbols | Xi,Xn | |
Synonyms |
4(1H)-Pyridone,3-nitro- (6CI,8CI);3-Nitro-4(1H)-pyridinone;3-Nitro-4-pyridone;NSC 155707; |
Article Data | 7 |
The 4-Hydroxy-3-nitropyridine, with the CAS registry number 15590-90-6, is also known as 3-Nitro-4(1H)-pyridinone. It belongs to the product categories of Nitro; Blocks; Nitro Compounds; Pyridines; Pyridine; Aromatic Phenylacetic Acids and Derivatives. This chemical's molecular formula is C5H4N2O3 and molecular weight is 140.10. What's more, its IUPAC name is called 3-Nitro-1H-pyridin-4-one.
Physical properties about 4-Hydroxy-3-nitropyridine are: (1)ACD/LogP: -1.649; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -1.85; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.00; (8)ACD/KOC (pH 7.4): 1.92; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.92 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 32.547 cm3; (15)Molar Volume: 96.709 cm3; (16)Polarizability: 12.903×10-24cm3; (17)Surface Tension: 55.85 dyne/cm; (18)Density: 1.449 g/cm3; (19)Flash Point: 107.88 °C; (20)Enthalpy of Vaporization: 49.221 kJ/mol; (21)Boiling Point: 254.768 °C at 760 mmHg; (22)Vapour Pressure: 0.017000000923872 mmHg at 25 °C.
Uses of 4-Hydroxy-3-nitropyridine: it is used to produce other chemicals. For example, it can produce 3-amino-1H-pyridin-4-one; hydrochloride. The reaction occurs with reagents Fe, HCl and other condition of heating for 1.5 hours. The yield is 72 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. It is harmful by inhalation and if swallowed. Therefore, you should avoid contacting with skin, eyes and wear suitable protective clothing, gloves and eye/face protection. The gas can not be breathed. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C/N/C=C1/[N+](=O)[O-]
(2) InChI: InChI=1S/C5H4N2O3/c8-5-1-2-6-3-4(5)7(9)10/h1-3H,(H,6,8)
(3) InChIKey: YUWOLBZMQDGRFV-UHFFFAOYSA-N