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92-24-0 molecular structure
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tetracene

ChemBase ID: 129776
Molecular Formular: C18H12
Molecular Mass: 228.28788
Monoisotopic Mass: 228.09390038
SMILES and InChIs

SMILES:
c12cc3cc4ccccc4cc3cc1cccc2
Canonical SMILES:
c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2
InChI:
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
InChIKey:
IFLREYGFSNHWGE-UHFFFAOYSA-N

Cite this record

CBID:129776 http://www.chembase.cn/molecule-129776.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetracene
IUPAC Traditional name
tetracene
Synonyms
Naphthacene
Benz[b]anthracene
2,3-Benzanthracene
Tetracene
Tetracene
Benz[b]anthracene
2,3-苯并蒽
并四苯
稠四苯
苯并[B]蒽
CAS Number
92-24-0
EC Number
202-138-9
MDL Number
MFCD00003702
Beilstein Number
1909299
PubChem SID
24869382
162224064
24891648
PubChem CID
7080
CHEBI ID
32600
Chemspider ID
6813
Wikipedia Title
Tetracene

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.941676  LogD (pH = 7.4) 4.941676 
Log P 4.941676  Molar Refractivity 75.4086 cm3
Polarizability 33.474434 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in water expand Show data source
Apperance
Yellow to orange solid expand Show data source
Melting Point
>300 °C(lit.) expand Show data source
357°C expand Show data source
Absorption Wavelength
λmax 277 nm expand Show data source
Fluorescence
λem 481, 514 nm in dichloromethane-d2 expand Show data source
Orbital energy
HOMO 5.4 eV expand Show data source
LUMO 2.7 eV expand Show data source
Semiconductor Properties
P-type (mobility=0.4 cm2/V·s) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
EU Index
Not listed expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
98% expand Show data source
99.99% trace metals basis expand Show data source
Grade
analytical standard, for environmental analysis expand Show data source
purum expand Show data source
sublimed grade expand Show data source
OPV Device Performance
ITO/PEDOT:PSS/tetracene/C60/BCP/Al1• 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 % expand Show data source
Empirical Formula (Hill Notation)
C18H12 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - B2403 external link
Packaging
1 g in glass bottle
100, 500 mg in glass bottle
Sigma Aldrich - 698415 external link
Application
p-Type organic conductor and OLED dopant. Sublimed grade for organic electronic device applications.
General description
TGA/DSC Lot specific traces available upon request
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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