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Bathocuproine Structure

Bathocuproine

Chemical Properties

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)
FDA UNII 9THP2V94FX
EPA Substance Registry System 1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl- (4733-39-5)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H413
Precautionary statements P273
Hazard Codes  Xn
Risk Statements  22-36/37/38-20/21/22
Safety Statements  24/25-36-26-37/39
WGK Germany  3
TSCA  Yes
HS Code  29339990
NFPA 704:
1
2 0

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Bathocuproine Chemical Properties,Usage,Production

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