Basic information Safety Supplier Related

4,4'-DIBROMOTRIPHENYLAMINE

Basic information Safety Supplier Related

4,4'-DIBROMOTRIPHENYLAMINE Basic information

Product Name:
4,4'-DIBROMOTRIPHENYLAMINE
Synonyms:
  • N,N-BIS(P-BROMOPHENYL)ANILINE
  • Dibromotriphenylamine
  • 4,4''-DIBROMOTRIPHENYLAMINE 98+%
  • N,N-Bis(4-bromophenyl)aniline
  • 4,4'-(Phenylimino)bis(1-bromobenzene)
  • Bis(4-bromophenyl)phenylamine
  • Phenylbis(4-bromophenyl)amine
  • N,N-Diphenyl-4,4'-dibromoaniline
CAS:
81090-53-1
MF:
C18H13Br2N
MW:
403.11
EINECS:
628-703-3
Product Categories:
  • OLED materials,pharm chemical,electronic
  • Acid Anhydrides, etc. (Reagents for Conducting Polymer Research)
  • Electroluminescence
  • Fluorenes, etc. (reagent for high-performance polymer research)
  • Functional Materials
  • Reagent for High-Performance Polymer Research
  • Reagents for Conducting Polymer Research
Mol File:
81090-53-1.mol
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4,4'-DIBROMOTRIPHENYLAMINE Chemical Properties

Melting point:
69°C
Boiling point:
470.7±30.0 °C(Predicted)
Density 
1.593
Flash point:
110 °C
storage temp. 
Inert atmosphere,Room Temperature
pka
-4.29±0.50(Predicted)
form 
Solid
color 
Off-white
InChI
InChI=1S/C18H13Br2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKey
KIGVOJUDEQXKII-UHFFFAOYSA-N
SMILES
C1(N(C2=CC=C(Br)C=C2)C2=CC=CC=C2)=CC=C(Br)C=C1
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Safety Information

Hazard Codes 
Xn
Risk Statements 
36/37/38-43-22
Safety Statements 
26-36/37/39-36/37
WGK Germany 
3
HS Code 
29214990
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4,4'-DIBROMOTRIPHENYLAMINE Usage And Synthesis

Uses

Polytriarylamine Semiconductors

Synthesis

603-34-9

81090-53-1

Step 1: Synthesis of 4,4'-dibromotriphenylamine 1. 12 g (50 mmol) of triphenylamine was dissolved in 250 mL of ethyl acetate in a 500 mL conical flask. 2. 18 g (100 mmol) of N-bromosuccinimide (NBS) was added to the above solution. 3. The reaction mixture was stirred at room temperature for 24 hours. 4. Upon completion of the reaction, the reaction mixture was washed with deionized water. 5. The mixture was dried by adding anhydrous magnesium sulfate to remove water. 6. The desiccant was removed by filtration and the filtrate was concentrated. 7. 7. 20 g of white solid product was obtained after drying in 99% yield.

References

[1] Patent: WO2009/72587, 2009, A1. Location in patent: Page/Page column 191
[2] Patent: WO2009/139358, 2009, A1. Location in patent: Page/Page column 90
[3] Journal of Materials Chemistry C, 2016, vol. 4, # 13, p. 2579 - 2586
[4] Journal of Materials Chemistry C, 2016, vol. 4, # 43, p. 10301 - 10308
[5] Journal of Materials Chemistry, 2012, vol. 22, # 23, p. 11629 - 11635

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