2,3-Dicyano-5-phenylpyrazine, 97%

The 2,3-Dicyano-5-phenylpyrazine, with the CAS registry number 52109-66-7, is also known as 2,3-Pyrazinedicarbonitrile, 5-phenyl-. This chemical's molecular formula is C₁₂H₆N₄ and molecular weight is 206.20. What's more, its IUPAC name is 5-Phenylpyrazine-2,3-dicarbonitrile.

Physical properties of 2,3-Dicyano-5-phenylpyrazine are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.37; (6)ACD/BCF (pH 7.4): 51.37; (7)ACD/KOC (pH 5.5): 583.61; (8)ACD/KOC (pH 7.4): 583.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 73.36 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 56.19 cm³; (15)Molar Volume: 155.7 cm³; (16)Polarizability: 22.27×10^-24 cm³; (17)Surface Tension: 78.6 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 141 °C; (20)Enthalpy of Vaporization: 68.88 kJ/mol; (21)Boiling Point: 432.9 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by diaminomaleonitrile and phenacyldimethylsulfonium iodide with heating. This reaction will need solvent ethanol with the reaction time of 2 hours. The yield is about 72%.

Uses of 2,3-Dicyano-5-phenylpyrazine: it can be used to produce 5-phenyl-pyrazine-2,3-dicarboxylic acid at the temperature of 50 °C. It will need reagents 30 percent KOH, 30 percent H₂O₂ with the reaction time of 24 hours. The yield is about 83.6%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(C(=N2)C#N)C#N
(2)InChI: InChI=1S/C12H6N4/c13-6-10-11(7-14)16-12(8-15-10)9-4-2-1-3-5-9/h1-5,8H
(3)InChIKey: KSVMJUBGOLBDJX-UHFFFAOYSA-N