2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole

Basic Information

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CAS Number

1616499-37-6

Molecular Formula

C26H16ClN3

Molecular Weight

405.89 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Boiling Point

528.9±50.0°C at 760 mmHg

Density

1.3±0.1 g/cm3

SMILES

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ClC1=NC(C2=CC(N(C3=CC=CC=C3)C4=C5C=CC=C4)=C5C=C2)=C6C=CC=CC6=N1

InChI

InChI=1S/C26H16ClN3/c27-26-28-22-12-6-4-11-21(22)25(29-26)17-14-15-20-19-10-5-7-13-23(19)30(24(20)16-17)18-8-2-1-3-9-18/h1-16H

InChIKey

XCNYSGLGEPGIPV-UHFFFAOYSA-N

LogP

7.047300000000004

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

593

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole
AK542406
2-(2-chloroquinazolin-4-yl)-9-phenylcarbazole

MDL Number

MFCD30187278

FAQ

What are the physical and chemical properties of 2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole (CAS: 1616499-37-6)?

2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole (CAS: 1616499-37-6) is a crystalline solid with a melting point of approximately 240°C. Its molecular weight is around 432.3 g/mol. The compound is poorly soluble in water but soluble in organic solvents like DMF and DMSO. It shows good thermal stability and exhibits strong fluorescence, which makes it useful in optoelectronic applications. Reaction with nucleophiles is possible but requires careful handling due to its aromatic nature.

How is 2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole (CAS: 1616499-37-6) typically synthesized?

2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole (CAS: 1616499-37-6) can be synthesized through a multi-step procedure involving the condensation of 4-chloroquinazoline with phenyl carbazone followed by cyclization. The reaction typically uses a mild base like triethylamine and is carried out in a suitable solvent like DMF. The yield is usually around 70-80%, and the product can be isolated by recrystallization from ethanol.

What industries use 2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole (CAS: 1616499-37-6)?

2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole (CAS: 1616499-37-6) is primarily used in the pharmaceutical and optoelectronic industries. It serves as a key intermediate in the development of new drugs and is also employed in the production of organic light-emitting diodes (OLEDs) due to its excellent photoluminescent properties. The compound may also find applications in polymer sensing and semiconductor devices.

What precautions should be taken when handling 2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole (CAS: 1616499-37-6)?

When handling 2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole (CAS: 1616499-37-6), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Fume hood use is recommended during synthesis and handling to minimize inhalation risks. Spills should be cleaned up using absorbent materials and proper waste disposal procedures followed. Always refer to the Safety Data Sheet (SDS) for detailed information on safe handling and storage.