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B2403

Sigma-Aldrich

Benz[b]anthracene

98%

Synonym(s):

2,3-Benzanthracene, Naphthacene, Tetracene

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About This Item

Empirical Formula (Hill Notation):
C18H12
CAS Number:
92-24-0
Molecular Weight:
228.29
Beilstein/REAXYS Number:
1909299
EC Number:
202-138-9
MDL number:
MFCD00003702
UNSPSC Code:
12352103
PubChem Substance ID:
24891648
NACRES:
NA.23

Quality Level

100

assay

98%

form

powder

mp

>300 °C (lit.)

orbital energy

HOMO 5.4 eV 
LUMO 2.7 eV 

OPV device performance

ITO/PEDOT:PSS/tetracene/C60/BCP/Al

  • Short-circuit current density (Jsc): 7 mA/cm2
  • Open-circuit voltage (Voc): 0.58 V
  • Fill Factor (FF): 0.57
  • Power Conversion Efficiency (PCE): 2.3 %

semiconductor properties

P-type (mobility=0.4 cm2/V·s)

SMILES string

c1ccc2cc3cc4ccccc4cc3cc2c1

InChI

1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H

InChI key

IFLREYGFSNHWGE-UHFFFAOYSA-N

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Related Categories

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

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Efficient photovoltaic energy conversion in tetracene-C60 based heterojunctions
Chu, C.; et al.
Applied Physics Letters, 86, 243506-243506 (2005)
Hazuki Morisaki et al.
Nature communications, 5, 5400-5400 (2014-11-08)
Organic crystals are likely to have a large degree of structural relaxation near their surfaces because of the weak inter-molecular interactions. The design of organic field-effect transistors requires a detailed knowledge of the surface relaxation as the carriers usually transfer
Thomas C Allison et al.
The journal of physical chemistry. A, 119(46), 11329-11365 (2015-10-21)
In this article, the first-principles prediction of enthalpies of formation is demonstrated for 669 polycyclic aromatic hydrocarbon (PAH) compounds and a number of related functionalized molecules. It is shown that by extrapolating density functional theory calculations to a large basis
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the

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