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| CAS No.: | 52109-66-7 |
|---|---|
| Name: | 2,3-Dicyano-5-phenylpyrazine, 97% |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C12H6N4 |
| Molecular Weight: | 206.206 |
| Synonyms: | 5-Phenylpyrazine-2,3-dicarbonitrile;2,3-Pyrazinedicarbonitrile, 5-phenyl-; |
| Density: | 1.32 g/cm3 |
| Melting Point: | 166 °C(Solv: ethanol (64-17-5); water (7732-18-5)) |
| Boiling Point: | 432.9 °C at 760 mmHg |
| Flash Point: | 141 °C |
| PSA: | 73.36000 |
| LogP: | 1.88696 |
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- Total:8 Page 1 of 1 1
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Specification
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