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2-(1-Methylethyl)-5-nitropyridine

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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 Molecular Structure of 131941-21-4 (Pyridine, 2-(1-methylethyl)-5-nitro- (9CI)) Hazard Symbols N/A
Synonyms

2-Isopropyl-5-nitropyridine;

Article Data 4

2-(1-Methylethyl)-5-nitropyridine Specification

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%.

Pyridine, 2-(1-methylethyl)-5-nitro- (9Cl) 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

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

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