Basic information
- Name:
2(1H)-Pyridinone,3-nitro-
- Superlist Name:
- 3-Nitro-2-pyridinol
- CAS No.:
6332-56-5
- Molecular Structure:
- Formula:
- C5H4N2O3
- Molecular Weight:
- 140.10
- Synonyms:
- 2(1H)-Pyridone,3-nitro- (6CI,7CI);2-Pyridinol, 3-nitro- (8CI);2-Hydroxy-3-nitropyridine;3-Nitro-2-hydroxypyridine;3-Nitro-2-pyridinone;3-Nitro-2-pyridone;3-Nitropyridin-2(1H)-one;NSC 26281;
- EINECS:
- 228-709-2
- Density:
- 1.44 g/cm3
- Melting Point:
- 212 °C
- Boiling Point:
- 368.8 °C at 760 mmHg
- Flash Point:
- 176.9 °C
- Solubility:
- Insoluble in benzene, ether, petroleum ether and cold water, soluble in hot water, hot alcohol and dilute alkali
- Appearance:
- yellow needle-like crystal
- Hazard Symbols:
Xi,
Xn- Risk Codes:
- 36/37/38-40
- Safety Description:
- 26-36-45-36/37/39 Details
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Specification
The 3-Nitro-2-pyridinol with CAS registry number of 6332-56-5 is also known as 2(1H)-Pyridinone, 3-nitro- (9Cl). The IUPAC name is 3-Nitro-1H-pyridin-2-one. It belongs to product categories of Nitro; Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pyridines; Pyridines derivates. Its EINECS registry number is 228-709-2. In addition, the formula is C5H4N2O3 and the molecular weight is 140.10. This chemical is a yellow needle-like crystal and should be stored in sealed containers in cool, dry place and away from oxidizing agents.
Physical properties about 3-Nitro-2-pyridinol are: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.25; (8)ACD/KOC (pH 7.4): 5.73; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 32.54 cm3; (14)Molar Volume: 96.7 cm3; (15)Surface Tension: 55.8 dyne/cm; (16)Density: 1.44 g/cm3; (17)Flash Point: 176.9 °C; (18)Enthalpy of Vaporization: 61.55 kJ/mol; (19)Boiling Point: 368.8 °C at 760 mmHg; (20)Vapour Pressure: 1.24E-05 mmHg at 25 °C.
Preparation of 3-Nitro-2-pyridinol: it is prepared by reaction of 3-nitro-pyridin-2-ylamine. The reaction needs reagent KOH and solvent H2O with other condition of heating for 13 hours. The yield is about 87%.
Uses of 3-Nitro-2-pyridinol: it is used to produce 3-amino-pyridin-2-ol. The reaction occurs with solvent H2O and other condition of baker's yeast at 33 °C for 72 hours. The yield is about 40%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. There is limited evidence of a carcinogenic effect. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CNC(=O)C(=C1)[N+](=O)[O-]
2. InChI: InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)
3. InChIKey: BOAFCICMVMFLIT-UHFFFAOYSA-N
