3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole

Basic Information

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CAS Number

150405-69-9

Molecular Formula

C30H27N3

Molecular Weight

429.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data available

Melting Point

231-235 °C

Boiling Point

611.499°C at 760 mmHg

Density

1.086

Flash Point

323.623°C

Refractive Index

1.615

SMILES

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CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H27N3/c1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22/h4-21H,1-3H3

InChIKey

ZVFQEOPUXVPSLB-UHFFFAOYSA-N

LogP

7.565800000000007

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

584

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

3-(4-BIPHENYLYL)-4-PHENYL-5-TERT-BUTYLPHENYL-1,2,4-TRIAZOLE
3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole
3-(4-biphenylyl)-4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazole
TAZ
3-(Biphenyl4-yl)-4-phenyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazole
MFCD00799419
3-(BIPHENYL-4-YL)-5-(4-TERT-BUTYLPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOLE
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
3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole
150405-69-9
4H-1,2,4-Triazole, 3-[1,1'-biphenyl]-4-yl-5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-
DTXSID60465999
3-([1,1'-biphenyl]-4-yl)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole
GS-0300
3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole, 97%
3-(4-biphenylyl)-4-phenyl-5-(4-t-butylphenyl)-1,2,4-triazole
AKOS015901754
J-008701
FT-0686896
SCHEMBL36900
3-{[1,1'-biphenyl]-4-yl}-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
3-(4-BIPHENYLYL)-4-PHENYL-5-(4-T-BUTYLPHENYL)-1,2,4-TRIAZOLE HOLE BLOCKER 286 NM (CH2CL2) ABSORBANCE
TAZ-01
3-(4-BiPhenyl)-4-Phenyl-5-Tert-butylPhenyl-1,2,4-Triazole
TZA
TAZ*
3-(Biphenyl-4-yl)-5-
3-(BIPHENYL-4-YL)-5-(4-TERT-BUTYLPHENYL&
3-(BIPHENYL-4-YL)-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOLE
3-(4-Biphenylyl)-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole

MDL Number

MFCD00799419

FAQ

What are the physical and chemical properties of 3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole (CAS: 150405-69-9)?

3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole is a solid with a crystalline form. It has a molecular weight of approximately 634.5 g/mol. This compound is slightly soluble in common organic solvents like dichloromethane and acetonitrile. It exhibits good thermal stability and low reactivity under normal conditions. However, it should be handled with care to avoid prolonged exposure to air and moisture.

How is 3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole (CAS: 150405-69-9) typically synthesized?

3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole can be synthesized through a multi-step reaction involving coupling of biphenyl derivatives with appropriate triazole precursors. Common catalysts include palladium-based catalysts. The reaction typically proceeds with high selectivity and yields, though careful control of reaction conditions is necessary to achieve optimal results.

What industries use 3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole (CAS: 150405-69-9)?

3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole is primarily used in the pharmaceutical industry for the development of novel drugs. It is also explored in the polymer industry for its potential to enhance material properties, and in the semiconductor industry for its role in sensor applications. Its versatility makes it a valuable compound in various research and industrial settings.

What precautions should be taken when handling 3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole (CAS: 150405-69-9)?

When handling 3-(4-Biphenylyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4-phenyl-4H-1,2,4-triazole, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or under a fume hood to avoid inhalation of any vapors. Spills should be cleaned up immediately using appropriate safety measures and the Material Safety Data Sheet (MSDS) should be consulted for detailed instructions. Keep the compound away from sources of heat and direct sunlight.