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4733-39-5

Name Bathocuproin
CAS 4733-39-5
EINECS(EC#) 225-240-5
Molecular Formula C26H20N2
MDL Number MFCD00004972
Molecular Weight 360.45
MOL File 4733-39-5.mol

Chemical Properties

Appearance Yellow powder
Melting point  279-283 °C(lit.)
Boiling point  482.47°C (rough estimate)
density  1.2408 (rough estimate)
refractive index  1.7620 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Benzene (Slightly, Heated), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form  Powder
pka 5.88±0.30(Predicted)
color  Yellow
Water Solubility  Soluble in methanol (36mg/100ml), ethanol, 2-propanol, bezene, and acetone. Partly miscible in water.
BRN  306714
InChI InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3
InChIKey STTGYIUESPWXOW-UHFFFAOYSA-N
SMILES N1C2C(=CC=C3C=2N=C(C)C=C3C2=CC=CC=C2)C(C2=CC=CC=C2)=CC=1C
CAS DataBase Reference 4733-39-5(CAS DataBase Reference)
EPA Substance Registry System 4733-39-5(EPA Substance)
Description
Bathocuproine (BCP) is a wide-band-gap material and has a high electron affinity. When it is embedded into organic electronic devices, bathocuproine acts as an exciton-blocking barrier?which prohibits exciton diffusion process?towards the Al electrode otherwise being quenched. One of the most commonly used buffer layer between acceptor and cathode layers is?bathocuproine. The introduction of the buffer layer can greatly improve the PCE of polymer organic solar cells.?BCP is one of the most popular hole-blocking layer materials that is used in organic electronics, including perovskite solar cells.
Odor Light yellow powder

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
TSCA  Yes
HS Code  29339990

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