3-(Biphenyl-4-YL)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole

Base Information

• Chemical Name: 3-(Biphenyl-4-YL)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
• CAS No.: 150405-69-9
• Molecular Formula: C30H27N3
• Molecular Weight: 429.564
• European Community (EC) Number: 623-896-0
• DSSTox Substance ID: DTXSID60465999
• Nikkaji Number: J641.769H
• Mol file: 150405-69-9.mol

Synonyms:150405-69-9;3-(BIPHENYL-4-YL)-5-(4-TERT-BUTYLPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOLE;TAZ;3-([1,1'-biphenyl]-4-yl)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-(Biphenyl4-yl)-4-phenyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazole;4H-1,2,4-Triazole, 3-[1,1'-biphenyl]-4-yl-5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-;3-(4-Biphenyl)-4-phenyl-5-tertbutylphenyl-1,2,4-triazole;3-([1,1'-Biphenyl]-4-yl)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole;SCHEMBL36900;DTXSID60465999;3-(4-biphenylyl)-4-phenyl-5-(4-t-butylphenyl)-1,2,4-triazole;MFCD00799419;AKOS015901754;GS-0300;FT-0686896;J-008701;3-(4-biphenylyl)-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole;3-(4-BIPHENYLYL)-4-PHENYL-5-TERT-BUTYLPHENYL-1,2,4-TRIAZOLE;3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole;3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole, 97%;3-{[1,1'-biphenyl]-4-yl}-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole

Chemical Property of 3-(Biphenyl-4-YL)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 231-235 °C
• Refractive Index: 1.615
• Boiling Point: 611.499 °C at 760 mmHg
• PKA: 1.78±0.10(Predicted)
• Flash Point: 323.623 °C
• PSA: 30.71000
• Density: 1.086 g/cm³
• LogP: 7.56580
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 429.220497874
• Heavy Atom Count: 33
• Complexity: 584

Purity/Quality:

99% ^*data from raw suppliers

TAZ | ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5
• Description: 1,2,4-triazole-based 3-(biphenyl-4-yl)-5-(4-tertbutylphenyl)-4-phenyl-4H-1,2,4-triazole?(TAZ) (ET: 2.7 eV,?HOMO/LUMO: 6.3/2.7 eV) has mostly been used in blue phosphorescent OLEDs (PhOLEDs) to serve as an efficient electron-transporting and hole-blocking layer due to its high triplet energy level that would confine the triplet excitons within the emissive layer.
• Uses: OLED and QD-LED electron transporter and hole blocker material.