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
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.
Odor Dark yellow powder/crystals

Safety Data

WGK Germany  3
HS Code  2933998090
Storage Class 11 - Combustible Solids

Hazard Information

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