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| CAS No.: | 2530-26-9 |
|---|---|
| Name: | 3-NITROPYRIDINE |
| Molecular Structure: | |
|
|
|
| Formula: | C5H4N2O2 |
| Molecular Weight: | 124.099 |
| Synonyms: | 3-Nitropyridine; |
| Density: | 1.313 g/cm3 |
| Melting Point: | 35-40 °C |
| Boiling Point: | 217 °C at 760 mmHg |
| Flash Point: | 85 °C |
| Solubility: | slightly soluble in Water |
| Appearance: | white to yellow needle-like crystals |
| Hazard Symbols: |
 Xn;  F
|
| Risk Codes: | 20/21/22-11 |
| Safety: | 37/39-26-16 |
| Transport Information: | UN 2811 |
| PSA: | 58.71000 |
| LogP: | 1.51300 |
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- Total:13 Page 1 of 1 1
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Specification
The 3-Nitropyridine, with the CAS registry number 2530-26-9, is a kind of white to yellow needle-like crystals. It belongs to the product category of Pyridine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C5H4N2O2.
The physical properties of 3-Nitropyridine are as following: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1.58; (6)ACD/BCF (pH 7.4): 1.58; (7)ACD/KOC (pH 5.5): 48.34; (8)ACD/KOC (pH 7.4): 48.34; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 30.88 cm3; (15)Molar Volume: 94.4 cm3; (16)Polarizability: 12.24×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 85 °C; (20)Enthalpy of Vaporization: 43.49 kJ/mol; (21)Boiling Point: 217 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.
Uses of 3-Nitropyridine: It can react with trichloromethane to 4-dichloromethyl-3-nitro-pyridine. This reaction will need reagent potassium tert-butoxide (t-BuOK), and the solvents tetrahydrofuran and dimethylformamide. The reaction time is 1 minute with temperature -73°C to -68°C, and the yield is about 72%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccnc1
(2)InChI: InChI=1/C5H4N2O2/c8-7(9)5-2-1-3-6-4-5/h1-4H
(3)InChIKey: QLILRKBRWXALIE-UHFFFAOYAU