2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole | CAS No. 100486-97-3

2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole

Basic Information

CAS Number

100486-97-3

Molecular Formula

C44H31Cl3N4O2

Molecular Weight

754.12 g/mol

AD

Basic Physical Properties

Melting Point

127-140 ºC

COC1=C(C=C(C=C1)C2=C(N=C(N2N3C(=C(N=C3C4=CC=CC=C4Cl)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7Cl)C8=CC=CC=C8Cl)OC

InChI

InChI=1S/C44H31Cl3N4O2/c1-52-37-26-25-30(27-38(37)53-2)42-40(31-19-9-12-22-34(31)45)49-44(33-21-11-14-24-36(33)47)51(42)50-41(29-17-7-4-8-18-29)39(28-15-5-3-6-16-28)48-43(50)32-20-10-13-23-35(32)46/h3-27H,1-2H3

InChIKey

CCDFGBMWPCTZSG-UHFFFAOYSA-N

LogP

12.37039999999998

Topological Polar Surface Area

54.1 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

1140

Synonyms & References

English

  • 100486-97-3
  • 2,4-bis(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-5-(3,4-dimethoxyphenyl)imidazole
  • DTXSID40888788
  • 2,2',4-TRIS(2-CHLOROPHENYL)-5-(3,4-DIMETHOXYPHENYL)-4',5'-DIPHENYL-1,1'-BIIMIDAZOLE
  • C44H31Cl3N4O2
  • 2,2,4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4,5-diphenyl-1,1-biimidazole
  • 1,1'-Bi-1H-imidazole, 2,2',4-tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-
  • SCHEMBL62627
  • 2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole
  • TCDM-HABIS
  • 1,1'-Bi-1H-imidazole,2,2',4-tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl
  • 5-(3,4-Dimethoxyphenyl)-4',5'-diphenyl-2,2',4'-tris(2-chlorophenyl)-1,1'-bi-1H-imidazole

MDL Number

MFCD08458465

FAQ

What are the physical and chemical properties of 2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole (CAS: 100486-97-3)?

2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole is a crystalline compound with a molecular weight of approximately 863.65 g/mol. It is practically insoluble in water but soluble in organic solvents like dichloromethane and acetonitrile. The compound shows limited reactivity under normal conditions but can undergo photodegradation and undergoes hydrogen bonding due to its molecular structure.

How is 2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole (CAS: 100486-97-3) typically synthesized?

2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole is prepared through a multi-step organic synthesis involving the condensation of 2-chlorophenyl and 3,4-dimethoxyphenyl compounds, followed by biimidazolization. The synthesis typically requires the use of a catalyst and is carried out under mild conditions to ensure high yield and selectivity.

What industries use 2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole (CAS: 100486-97-3)?

2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole is utilized in pharmaceuticals for its potential as a photodynamic agent. It is also used in the development of sensors and semiconductors due to its photochemical properties and stability.

What precautions should be taken when handling 2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole (CAS: 100486-97-3)?

When handling 2,2',4-Tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-1,1'-biimidazole, it is recommended to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled by neutralizing the compound with an appropriate agent and disposing of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.

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