
105598-27-4
| Name | Hexaazatriphenylenehexacabonitrile |
| CAS | 105598-27-4 |
| EINECS(EC#) | 1312995-182-4 |
| Molecular Formula | C18N12 |
| MDL Number | MFCD19689401 |
| Molecular Weight | 384.27 |
| MOL File | 105598-27-4.mol |
Chemical Properties
| Melting point | >500°C |
| Boiling point | 988.7±65.0 °C(Predicted) |
| density | 1.86 |
| refractive index | n/550 1.81 |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | acetone: soluble acetonitrile: soluble methylene chloride: soluble |
| form | powder or crystals |
| pka | -22.82±0.50(Predicted) |
| color | Dark yellow |
| semiconductor properties | (mobility=0.1-1cm2/V·s) (electron mobility) |
| λmax | 282-321 nm in methylene chloride (PL: 422 nm) |
| InChI | InChI=1S/C18N12/c19-1-7-8(2-20)26-14-13(25-7)15-17(29-10(4-22)9(3-21)27-15)18-16(14)28-11(5-23)12(6-24)30-18 |
| InChIKey | DKHNGUNXLDCATP-UHFFFAOYSA-N |
| SMILES | N1C2C(=C3N=C(C#N)C(C#N)=NC3=C3N=C(C#N)C(C#N)=NC3=2)N=C(C#N)C=1C#N |
| Absorption | λmax?282, 321 nm (in?CH2Cl2) |
| Description | |
| Odor | Dark yellow powder/crystals |