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2-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole

Catalog Number
ACM15082287-6
CAS Number
15082-28-7
Product Name
2-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole
Structure
Category
Electroluminescence Materials; Organic Light-Emitting Diode (OLED) Materials
Synonyms
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (purified by sublimation)
PBD (purified by sublimation)
IUPAC Name
2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
Molecular Weight
354.45
Molecular Formula
C24H22N2O
Canonical SMILES
CC(C)(C)c1ccc(cc1)-c2nnc(o2)-c3ccc(cc3)-c4ccccc4
InChI
InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
InChI Key
XZCJVWCMJYNSQO-UHFFFAOYSA-N
Melting Point
138 °C
Purity
>99.0%(GC)
Solubility
soluble in Toluene
Appearance
White to Almost white powder to crystal
Application
2-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole (PBD) is a versatile white powder that serves multiple functions in advanced materials and device fabrication. It is primarily utilized as a hole-blocking material in the development of multilayer polymer light-emitting diodes, where it plays a key role in enhancing device efficiency. Additionally, PBD acts as an additive in the creation of polyurethane-based bistable nonvolatile memory devices, significantly boosting performance by increasing the ON/OFF ratio and ensuring a retention period that exceeds five hours. Furthermore, PBD's properties as an organic fluorescent molecule make it valuable in the preparation of plastic scintillators.
Storage
Store under inert gas
Assay
≥99%
Complexity
452
Covalently-Bonded Unit Count
1
EC Number
239-135-7
Exact Mass
354.173213g/mol
Form
ITO/DTFD/PBD/Alq3/LiF/Al[1]· Color: blue· Max. Luminance: 400 Cd/m2· Max. EQE: 1.6 %· Turn-On Voltage: 4 V
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
27
MDL Number
MFCD00003101
Monoisotopic Mass
354.173213g/mol
NSC Number
158164
Packaging
5, 100 g in poly bottle
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
4
Signal Word
Warning
XLogP3
6.4
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