2,2'-Bipyrimidine

The 2,2'-Bipyrimidine is an organic compound with the formula C₈H₆N₄. The systematic name of this chemical is 2,2'-bipyrimidine. With the CAS registry number 34671-83-5, it is also named as 2,2'-Dipyrimidyl. The product's category is Pyrimidine. Besides, it should be stored in a closed cool and dry place.

Physical properties about 2,2'-Bipyrimidine are: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 1.079; (3)ACD/LogD (pH 7.4): 1.079; (4)ACD/BCF (pH 5.5): 3.89; (5)ACD/BCF (pH 7.4): 3.89; (6)ACD/KOC (pH 5.5): 92.033; (7)ACD/KOC (pH 7.4): 92.033; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 51.56 Å²; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 43.21 cm³; (13)Molar Volume: 127.613 cm³; (14)Polarizability: 17.13×10^-24cm³; (15)Surface Tension: 61.401 dyne/cm; (16)Density: 1.239 g/cm³; (17)Flash Point: 197.045 °C; (18)Enthalpy of Vaporization: 62.036 kJ/mol; (19)Boiling Point: 395.395 °C at 760 mmHg.

Preparation: this chemical can be prepared by 2-chloro-pyrimidine. This reaction will need reagent nickel chloride hexahydrate, triphenylphosphine, zinc and solvent dimethylformamide. The reaction temperature is 50 °C. The yield is about 60%.

Uses of 2,2'-Bipyrimidine: it can be used to produce 5-bromo-[2,2']bipyrimidinyl at temperature of 130 °C. It will need reagent Br₂. The yield is about 44%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are 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: c1cnc(nc1)c2ncccn2
(2)InChI: InChI=1/C8H6N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1-6H
(3)InChIKey: HKOAFLAGUQUJQG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H6N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1-6H
(5)Std. InChIKey: HKOAFLAGUQUJQG-UHFFFAOYSA-N