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| CAS No.: | 33420-37-0 |
|---|---|
| Name: | Pyrazinetetracarbonitrile |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8N6 |
| Molecular Weight: | 180.13 |
| Synonyms: | Pyrazine-2,3,5,6-tetracarbonitrile; |
| Density: | 1.55 g/cm3 |
| Melting Point: | 274-276℃ |
| Boiling Point: | 487.3 °C at 760 mmHg |
| Flash Point: | 152.9 °C |
| PSA: | 120.94000 |
| LogP: | -0.03668 |
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Specification
The Pyrazinetetracarbonitrile has the CAS registry number 33420-37-0. This chemical's molecular formula is C8N2 and molecular weight is 180.13. What's more, its systematic name is pyrazine-2,3,5,6-tetracarbonitrile.
Physical properties of Pyrazinetetracarbonitrile are: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 120.94 Å2; (7)Index of Refraction: 1.62; (8)Molar Refractivity: 40.61 cm3; (9)Molar Volume: 115.5 cm3; (10)Polarizability: 16.1×10-24cm3; (11)Surface Tension: 125.7 dyne/cm; (12)Density: 1.55 g/cm3; (13)Flash Point: 152.9 °C; (14)Enthalpy of Vaporization: 75.32 kJ/mol; (15)Boiling Point: 487.3 °C at 760 mmHg; (16)Vapour Pressure: 1.2E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1nc(C#N)c(nc1C#N)C#N
(2)InChI: InChI=1S/C8N6/c9-1-5-6(2-10)14-8(4-12)7(3-11)13-5
(3)InChIKey: VOHLAVUPSKBRPU-UHFFFAOYSA-N