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Name |
2-(1-Methylethyl)-5-nitropyridine |
EINECS | N/A |
CAS No. | 131941-21-4 | Density | 1.149 g/cm3 |
PSA | 58.71000 | LogP | 2.63640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10N2O2 | Boiling Point | 246.831 °C at 760 mmHg |
Molecular Weight | 166.18 | Flash Point | 103.08 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Isopropyl-5-nitropyridine; |
Article Data | 4 |
The Pyridine, 2-(1-methylethyl)-5-nitro- (9Cl), with the CAS registry number 131941-21-4, is also known as 2-Isopropyl-5-nitropyridine. It belongs to the product categories of IsopropyL; Pyridines. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.18. What's more, its IUPAC name is 5-nitro-2-propan-2-ylpyridine.
Physical properties of Pyridine, 2-(1-methylethyl)-5-nitro- (9Cl) are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.042; (4)ACD/LogD (pH 7.4): 2.042; (5)ACD/BCF (pH 5.5): 20.995; (6)ACD/BCF (pH 7.4): 20.999; (7)ACD/KOC (pH 5.5): 307.582; (8)ACD/KOC (pH 7.4): 307.643; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 45.075 cm3; (15)Molar Volume: 144.571 cm3; (16)Polarizability: 17.869×10-24cm3; (17)Surface Tension: 43.813 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 103.08 °C; (20)Enthalpy of Vaporization: 46.437 kJ/mol; (21)Boiling Point: 246.831 °C at 760 mmHg; (22)Vapour Pressure: 0.042 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-methyl-3,5-dinitro-1H-pyridin-2-one and 3-methyl-butan-2-one at the temperature of 70°C. This reaction will need reagent NH3 and solvent methanol with the reaction time of 3 hours. The yield is about 36%.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1ccc(cn1)[N+](=O)[O-]
(2)Std. InChI: InChI=1S/C8H10N2O2/c1-6(2)8-4-3-7(5-9-8)10(11)12/h3-6H,1-2H3
(3)Std. InChIKey: NHGFJXPCQGXISU-UHFFFAOYSA-N