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CAS No.: | 4282-47-7 |
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Name: | 2-(4-Nitrophenyl)pyridine |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C11H8N2O2 |
Molecular Weight: | 200.197 |
Synonyms: | Pyridine,2-(p-nitrophenyl)- (6CI,7CI,8CI);1-Nitro-4-(2-pyridyl)benzene;2-(4-Nitrophenyl)pyridine;2-(p-Nitrophenyl)pyridine;4-(2-Pyridyl)nitrobenzene; |
Density: | 1.252 g/cm3 |
Melting Point: | 116-118 °C |
Boiling Point: | 354.3 °C at 760 mmHg |
Flash Point: | 168.1 °C |
Hazard Symbols: | Xi |
PSA: | 58.71000 |
LogP: | 3.18000 |
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This chemical is called 2-(4-Nitrophenyl)pyridine, and it can also be named as pyridine, 2-(4-nitrophenyl)-. With the molecular formula of C11H8N2O2, its molecular weight is 200.19. The CAS registry number of this chemical is 4282-47-7, and its product category is Pharmacetical.
Other characteristics of the 2-(4-Nitrophenyl)pyridine can be summarised as followings: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 29.58; (6)ACD/BCF (pH 7.4): 30; (7)ACD/KOC (pH 5.5): 391.56; (8)ACD/KOC (pH 7.4): 397.1; (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: 1.611; (14)Molar Refractivity: 55.48 cm3; (15)Molar Volume: 159.7 cm3; (16)Polarizability: 21.99×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 168.1 °C; (20)Enthalpy of Vaporization: 57.57 kJ/mol; (21)Boiling Point: 354.3 °C at 760 mmHg; (22)Vapour Pressure: 6.9E-05 mmHg at 25°C.
Production method of this chemical: The 2-(4-Nitrophenyl)pyridine could be obtained by the reactants of 1-bromo-4-nitro-benzene and 2-trifluoromethanesulfonyloxy-pyridine. This reaction needs the reagents of Pd(PPh3)4, LiCl, hexamethylditin, and the solvent of dioxane. The yield is 44 %. The condition of this reaction is heating.
Uses of this chemical: The 4-pyridin-2-yl-aniline could be obtained by the reactant of 2-(4-Nitrophenyl)pyridine. This reaction needs the reagents of iron filings, ammonium chloride, and the solvent of H2O. The yield is 70 %. This reaction should be taken for 30 minutes at the temperature of 90-95 °C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2ccc(c1ncccc1)cc2
2.InChI: InChI=1/C11H8N2O2/c14-13(15)10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8H
3.InChIKey: FNLTWLXKZQWUJZ-UHFFFAOYAS