3-(2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE

The 1,2,4-Triazine,5,6-diphenyl-3-(2-pyridinyl)- is an organi c ompound with the formula C₂₀H₁₄N₄. The IUPAC name of this chemical is 5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine. With the CAS registry number 1046-56-6, it is also named as 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine. The product's categories are Heterocyclic Compounds; Analytical Chemistry; Bipyridyls, etc. (Chelating Reagents); Chelating Reagents. It is yellow powder which is stable and incompatible with strong acids, strong oxidizing agents. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 181.17; (6)ACD/BCF (pH 7.4): 181.17; (7)ACD/KOC (pH 5.5): 1438.64; (8)ACD/KOC (pH 7.4): 1438.65; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 92.39 cm³; (14)Molar Volume: 258.1 cm³; (15)Polarizability: 36.62×10^-24 cm³; (16)Surface Tension: 55.2 dyne/cm; (17)Enthalpy of Vaporization: 76.94 kJ/mol; (18)Vapour Pressure: 1.33E-10 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 310.121846; (21)MonoIsotopic Mass: 310.121846; (22)Topological Polar Surface Area: 51.6; (23)Heavy Atom Count: 24; (24)Complexity: 376.

Uses of 1,2,4-Triazine,5,6-diphenyl-3-(2-pyridinyl)-: It can react with fullerene C60 to get C₈₀H₁₄N₂. This reaction needs solvent 1,2-dichloro-benzene at temperature of 180 °C. The reaction time is 17 hours. The yield is 50%.

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, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:n2c(nnc(c1ccccc1)c2c3ccccc3)c4ncccc4
2. InChI:InChI=1/C20H14N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17/h1-14H 
3. InChIKey:OTMYLOBWDNFTLO-UHFFFAOYAF

The following are the toxicity data which has been tested.