IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name3-4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehydeIUPAC Name4-(4-formyl-N-anilino)benzaldehydeMolecular StructureCAS Registry Number 854938-59-3Synonyms854938-59-3Benzaldehyde, 4,4',4'',4'''-(1,4-phenylenedinitrilo)tetraki4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehyde4-({4-phenyl}(4-formylphenyl)amino)benzaldehydeSCHEMBL29258833BS-53758F88952Benzaldehyde pound not 4 pound not4' pound not4'' pound not4'''-(1 pound not4-phenylenedinitrilo)tetrakiMolecular FormulaC34H24N2O4 Molecular Weight524.6InChIInChI=1S/C34H24N2O4/c37-21-25-1-9-29(10-2-25)35(30-11-3-26(22-38)4-12-30)33-17-19-34(20-18-33)36(31-13-5-27(23-39)6-14-31)32-15-7-28(24-40)8-16-32/h1-24HInChI KeyKNSVRJTTXGBOJR-UHFFFAOYSA-NSMILESC1=CC(=CC=C1C=O)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C=O)C5=CC=C(C=C5)C=O

Physical Data

No data available

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1Hdimethylsulfoxide-d6400Chemical shifts, Spectrum1Hchloroform-d1Chemical shifts, Spectrum13Cchloroform-d1

4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehyde CAS#: 854938-59-3 NMR

Description (IR Spectroscopy)Solvent (IR Spectroscopy)SpectrumBands, Spectrumpotassium bromideSpectrumpotassium bromide

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehyde CAS 854938-59-3

ConditionsYieldStage #1: N,N-dimethyl-formamide With trichlorophosphate at 20℃; for 1.5h; Inert atmosphere;Stage #2: N,N,N',N'-tetraphenyl-p-phenylenediamine at 105℃; for 12h; Inert atmosphere;47.2%With trichlorophosphate at 20 - 105℃;50.3%

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationUnder the room temperature and away from lightHS CodeStorageUnder the room temperature and away from lightShelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight524.576logP7.488HBA6HBD0Matching Lipinski Rules2Veber rules componentPolar Surface Area (PSA)68.28Rotatable Bond (RotB)10Matching Veber Rules2

Use Pattern4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehyde is used as a COF ligand.4,4',4'',4'''-(1,4-Phenylenebis(azanetriyl))tetrabenzaldehyde is an important organic compound with a wide range of applications. It serves various purposes in the fields of chemistry, pharmaceuticals, and materials. https://www.chemwhat.com/4444-14-phenylenebisazanetriyltetrabenzaldehyde-cas-854938-59-3/