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926388

Sigma-Aldrich

HAT-CN

≥98% (sublimed)

Synonym(s):

Dipyrazino[2,3-f :2′,3′-h ]quinoxaline-2,3,6,7,10,11-hexacarbonitrile

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About This Item

Empirical Formula (Hill Notation):
C18N12
CAS Number:
105598-27-4
Molecular Weight:
384.27
MDL number:
MFCD19689401
UNSPSC Code:
12352103
NACRES:
NA.23

Quality Level

100

Assay

≥98% (sublimed)

form

powder

band gap

3.9 eV

impurities

0.5% weight loss (TGA, > 400 ºC)

color

yellow

refractive index

n/550 1.81

transition temp

Tg 130 °C
Tm 265 °C

solubility

acetone: soluble
acetonitrile: soluble
methylene chloride: soluble

λmax

282-321 nm in methylene chloride (PL: 422 nm)

Orbital energy

HOMO -9.1 eV 
LUMO -5.2 eV 

semiconductor properties

(mobility=0.1-1 cm2/V·s) (electron mobility)

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

InChI key

DKHNGUNXLDCATP-UHFFFAOYSA-N

Application

HAT-CN can be used in studies such as organic electronics, as a charge-transport material, electron-transport material, or active layer component. Its high electron affinity and π-conjugated structure suggest potential use in organic field-effect transistors (OFETs), organic photovoltaics (OPVs), and organic light-emitting diodes (OLEDs). HAT-CN may be studied for potential applications in energy storage, such as batteries and supercapacitors.
HAT-CN is a popular solution-processable hole transport material (HTM) for:

  • Diodes ;
  • Environmentally-friendly organic solar cells (OPVs);
  • Organic phototransistors.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

926388-VAR:
926388-BULK:
926388-1G:4548173370163

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV9294
MKCT8307
MKCT0900
MKCR3911
MKCR8511

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Dynamic Oscillation via Negative Differential Resistance in Type III Junction Organic/Two-Dimensional and Oxide/Two-Dimensional Transition Metal Dichalcogenide Diodes.
Choi W, et al.
Advances in Functional Materials, 31(9), 2009436-2009436 (2021)
Effects on p-type buffer layers for semitransparent organic photovoltaics using indium zinc oxide transparent electrode.
Kuwano K, et al.
Japanese Journal of Applied Physics, 59(SD), SDDD04-SDDD04 (2020)
Solution-processed hexaazatriphenylene hexacarbonitrile as a universal hole-injection layer for organic light-emitting diodes
Lin H W, et al.
Organic Electronics, 14, 1204?1210-1204?1210 (2013)
Type-III organic/two-dimensional multi-layered phototransistors with promoted operation speed at the communication band.
Han J, et al.
Journal of Material Chemistry C, 9(39), 13963-13971 (2021)
A low-temperature processed environment-friendly full-organic carrier collection layer for polymer solar cells.
Shi A L, et al.
Applied Physics Letters, 105(5), 053305/1-053305/5 (2014)
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