2,4-Dichloro-6-phenyl-1,3,5-triazine

The 2,4-Dichloro-6-phenyl-1,3,5-triazine, with the CAS registry number 1700-02-3 and EINECS registry number 216-928-6, is also called 2,4-Dichloro-6-phenyl-1,3,5-triazine. And the molecular formula of the chemical is C₉H₅Cl₂N₃.

The characteristics of 2,4-Dichloro-6-phenyl-1,3,5-triazine are as followings: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 153.46; (6)ACD/BCF (pH 7.4): 153.46; (7)ACD/KOC (pH 5.5): 1277.44; (8)ACD/KOC (pH 7.4): 1277.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.67 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 54.9 cm³; (15)Molar Volume: 158.2 cm³; (16)Polarizability: 21.76×10^-24cm³; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.428 g/cm³; (19)Flash Point: 244.9 °C; (20)Enthalpy of Vaporization: 65.61 kJ/mol; (21)Boiling Point: 427.5 °C at 760 mmHg; (22)Vapour Pressure: 4.06E-07 mmHg at 25°C.

Preparation of 2,4-Dichloro-6-phenyl-1,3,5-triazine: This chemical can be prepared by 2,4,6-trichloro-[1,3,5]triazine and phenylmagnesium bromide. The reaction will need reagent diethyl ether, tetrahydrofuran and benzene. The reaction time is 3 hours with temperature of 25°C. 

Uses of 2,4-Dichloro-6-phenyl-1,3,5-triazine: It can react with 2-chloro-4-(3R,5S-dimethyl-piperazine-1-yl)-6-(1-methoxy-ethyl)-[1,3,5]triazine to produce 2-chloro-4-[2-(4-chloro-6-phenyl-[1,3,5]triazine-2-yl)-3R,5S-dimethyl-piperazine-1-yl]-6-(1-methoxy-ethyl)-[1,3,5]triazine. This reaction will need reagent NaHCO₃, and the menstruum dimethylformamide. The reaction temperature is 20°C, and the yield is about 48%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc(nc(Cl)n1)c2ccccc2
(2)InChI: InChI=1/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: AMEVJOWOWQPPJQ-UHFFFAOYAE