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CAS No.: | 25864-34-0 |
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Name: | 2-Amino-3,5-dinitro-6-methylpyridine |
Molecular Structure: | |
Formula: | C6H6N4O4 |
Molecular Weight: | 198.138 |
Synonyms: | 2-Picoline,6-amino-3,5-dinitro- (8CI);2-Amino-6-methyl-3,5-dinitropyridine;NSC 142147; |
Density: | 1.586 g/cm3 |
Boiling Point: | 396.6 °C at 760 mmHg |
Flash Point: | 193.7 °C |
Hazard Symbols: | Xi |
PSA: | 130.55000 |
LogP: | 2.41620 |
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The 2-Pyridinamine,6-methyl-3,5-dinitro-, with the CAS registry number 25864-34-0, is also known as 2-Amino-3,5-dinitro-6-methylpyridine. It belongs to the product categories of Blocks; Pyridines. This chemical's molecular formula is C6H6N4O4 and molecular weight is 198.13624. What's more, its systematic name is 6-Methyl-3,5-dinitropyridin-2-amine.
Physical properties about this chemical are: (1)ACD/LogP: 2.58; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.81; (6)ACD/BCF (pH 7.4): 53.81; (7)ACD/KOC (pH 5.5): 603.37; (8)ACD/KOC (pH 7.4): 603.37; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 107.77 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 46.49 cm3; (15)Molar Volume: 124.8 cm3; (16)Polarizability: 18.43×10-24cm3; (17)Surface Tension: 82 dyne/cm; (18)Density: 1.586 g/cm3; (19)Flash Point: 193.7 °C; (20)Enthalpy of Vaporization: 64.69 kJ/mol; (21)Boiling Point: 396.6 °C at 760 mmHg; (22)Vapour Pressure: 1.69E-06 mmHg at 25 °C.
Preparation of 2-Pyridinamine,6-methyl-3,5-dinitro: this chemical can be prepared by 6-Methyl-pyridin-2-ylamine. This reaction needs reagents H2SO4 and HNO3 at temperature of 50 °C. The reaction time is 4 hours. The yield is 75 %.
Uses of 2-Pyridinamine,6-methyl-3,5-dinitro: it can react with 4-Methyl-benzaldehyde to give 2-Amino-3,5-dinitro-6-(p-methylstyryl)pyridine. The reaction occurs with reagent Piperidine and solvent Toluene on other condition of heating for 1 hour. The yield is 65 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(c(nc1N)C)[N+]([O-])=O
(2) InChI: InChI=1/C6H6N4O4/c1-3-4(9(11)12)2-5(10(13)14)6(7)8-3/h2H,1H3,(H2,7,8)
(3) InChIKey: KWYALJWSYDOZON-UHFFFAOYAQ