1402049-87-9

Name (Z) -2- (4-bromophenyl) -3- (4- (di-p-toluidine) phenyl) acetonitrile
CAS 1402049-87-9
Molecular Formula C27H19BrN2
Molecular Weight 451.37
MOL File 1402049-87-9.mol
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Chemical Properties

Melting point  163-164 °C
Boiling point  582.5±50.0 °C(Predicted)
density  1.354±0.06 g/cm3(Predicted)
pka -3.60±0.60(Predicted)
InChI InChI=1S/C27H19BrN2/c28-24-15-13-22(14-16-24)23(20-29)19-21-11-17-27(18-12-21)30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-19H
InChIKey VCXBXUOELYSTRE-UHFFFAOYSA-N
SMILES N(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC(C=C(C2C=CC(Br)=CC=2)C#N)=CC=1

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