Hexaazatriphenylenehexacabonitrile CAS 105598-27-4
Introduction：Basic information about Hexaazatriphenylenehexacabonitrile CAS 105598-27-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Hexaazatriphenylenehexacabonitrile Basic informationClassification Applications
| Product Name: | Hexaazatriphenylenehexacabonitrile |
| Synonyms: | HAT-CN;Hexaazatriphenylenehexacabonitrile;Dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile;HAT-CN , Dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hex;2,3,6,7,10,11-Hexacyano-1,4,5,8,9,12-hexaazatriphenylene;HAT(CN)6;1,4,5,8,9,11-Hexaazatriphenylenehexacarbonitrile;2,3,6,7,10,11-Hexacyano-1,4,5,8,9 |
| CAS: | 105598-27-4 |
| MF: | C18N12 |
| MW: | 384.27 |
| EINECS: | 1312995-182-4 |
| Product Categories: | OLED |
| Mol File: | 105598-27-4.mol |
Hexaazatriphenylenehexacabonitrile 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) |
Safety Information
| WGK Germany | 3 |
| HS Code | 2933998090 |
| Storage Class | 11 - Combustible Solids |
| Classification | Charge-generation layer (CGL) materials, Hole-injection layer materials (HIL), OLED and PLED materials, Organic electronics, Perovskite solar cells. |
| Applications | 1,4,5,8,9,11-Hexaazatriphenylenehexacarbonitrile, also known as HAT-CN, is one of the members of the 1,4,5,8,9,12-hexaazatriphenylene (HAT) family, which have an electron-deficient, rigid, planar, aromatic discotic system with an excellent π–π stacking ability. For this reason, HAT-CN finds applications in organic light-emitting diodes (OLEDs) serving either as the hole-injection layer (HIL) or charge-generation layer (CGL) material. It has been proven that using HAT-CN as a hole injection layer (HIL) material can dramatically enhance the performance of solution-processed organic light-emitting diodes [2]. Lin et al further demonstrated that the external quantum efficiency, current efficiency, and power efficiency of the HAT-CN based devices were higher than or almost similar to those of optimised PEDOT:PSS-based devices. Solution-processed HAT-CN is promising as a novel alternative to conventional PEDOT:PSS HILs, due to its efficient carrier-injection capability and the capacity to prevent interfacial mixing and erosion during fabrication. |
| Description | 1,4,5,8,9,11-Hexaazatriphenylenehexacarbonitrile, also known as HAT-CN, is one of the members of the 1,4,5,8,9,12-hexaazatriphenylene (HAT) family, which have?an electron-deficient, rigid, planar, aromatic discotic system with an excellent π–π stacking ability. For this reason, HAT-CN finds applications in organic?light-emitting diodes (OLEDs) serving either as the hole-injection layer (HIL) or charge-generation layer (CGL) material. |
| Chemical Properties | 2,3,6,7,10,11-hexacyano-1,4,5,8,9,12-hexaazabenzophenanthrene is a heteroatom-substituted benzophenanthrene derivative, which is a dark yellow solid powder under normal temperature and pressure, with certain basicity and large conjugated structure, insoluble in water and insoluble in common organic solvents, such as ether, n-hexane and so on. |
Hexaazatriphenylenehexacabonitrile Preparation Products And Raw materials
| Raw materials | HEXAKETOCYCLOHEXANE OCTAHYDRATE |
