2-(2,4-DINITROBENZYL)PYRIDINE

The Pyridine, 2-[(2, 4-dinitrophenyl)methyl]-, with the CAS registry number 1151-97-9, is also known as 2-(2, 4-Dinitrobenzyl)pyridine. Its EINECS registry number is 214-567-9. This chemical's molecular formula is C₁₂H₉N₃O₄ and molecular weight is 259.22. What's more, its IUPAC name is 2-[(2, 4-Dinitrophenyl)methyl]pyridine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant. Besides, you should ensure the work place is well-ventilated.

Physical properties about Pyridine, 2-[(2, 4-dinitrophenyl)methyl]- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 22.1; (6)ACD/BCF (pH 7.4): 23.73; (7)ACD/KOC (pH 5.5): 312.55; (8)ACD/KOC (pH 7.4): 335.74; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 104.53 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 66.74 cm³; (15)Molar Volume: 185.7 cm³; (16)Polarizability: 26.46×10^-24 cm³; (17)Surface Tension: 63 dyne/cm; (18)Density: 1.395 g/cm³; (19)Flash Point: 203.4 °C; (20)Enthalpy of Vaporization: 63.96 kJ/mol; (21)Boiling Point: 412.8 °C at 760 mmHg; (22)Vapour Pressure: 1.21E-06 mmHg at 25 °C.

Preparation of Pyridine, 2-[(2, 4-dinitrophenyl)methyl]-: this chemical is prepared by reaction of 2-Chloromethyl-pyridine with 1, 3-Dinitro-benzene. The reaction needs reagent t-BuOK and solvent Dimethylsulfoxide. The reaction time is 1 hour with reaction temperature of 20 °C. The yield is about 38 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact 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)c1ccc(c([N+]([O-])=O)c1)Cc2ncccc2
(2) InChI: InChI=1/C12H9N3O4/c16-14(17)11-5-4-9(12(8-11)15(18)19)7-10-3-1-2-6-13-10/h1-6,8H,7H2
(3) InChIKey: KKFNJVINGIUTIH-UHFFFAOYAQ