4,6-dichloro-2,5-diphenylpyrimidine

The 4,6-dichloro-2,5-diphenylpyrimidine with the CAS registry number 29133-99-1 belongs to the classes of Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; Pyrimidines Heterocyclic Building Blocks. The IUPAC name is 4,6-dichloro-2,5-diphenylpyrimidine. In addition, the molecular formula is C₁₆H₁₀Cl₂N₂ and the molecular weight is 301.17. And it should be stored in cool and dry place.

Physical properties about 4,6-dichloro-2,5-diphenylpyrimidine: (1)ACD/LogP: 5.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.54; (4)ACD/LogD (pH 7.4): 5.54; (5)ACD/BCF (pH 5.5): 9588.56; (6)ACD/BCF (pH 7.4): 9588.56; (7)ACD/KOC (pH 5.5): 24645; (8)ACD/KOC (pH 7.4): 24645; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 81.4 cm³; (15)Molar Volume: 230.3 cm³; (16)Polarizability: 32.27 ×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 181.4 °C; (20)Enthalpy of Vaporization: 54.65 kJ/mol; (21)Boiling Point: 326.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000399 mmHg at 25°C.

Uses of 2,4-Dimethylimidazole: it can react with Quinine to get C₅₆H₅₆N₆O₄. This reaction will need reagent KOH and solvent toluene. The reaction time is 12 hours for refluxing and the yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(Cl)c1c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C16H10Cl2N2/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1-10H
(3)InChIKey: SYZDNTMHIDTVBR-UHFFFAOYAZ