12H-[1]Benzothieno[2,3-a]carbazole

Basic Information

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CAS Number

222-21-9

Molecular Formula

C18H11NS

Molecular Weight

273.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

544.5±23.0 °C(Predicted)

Density

1.411±0.06 g/cm3(Predicted)

SMILES

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N1C2=C(C=CC=C2)C2=C1C1=C(C=C2)C2=C(S1)C=CC=C2

InChI

InChI=1S/C18H11NS/c1-3-7-15-11(5-1)13-9-10-14-12-6-2-4-8-16(12)20-18(14)17(13)19-15/h1-10,19H

InChIKey

CILATXQQOGDBRQ-UHFFFAOYSA-N

LogP

5.689000000000003

pKa

16.55±0.30(Predicted)

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Synonyms & References

English

12H- [1] benzothieno [2,3-a] carbazole
Benzothieno[2,3-a]carbazole
12H-benzo[4,5]thieno[2,3-a]carbazole
A028
12H-[1]Benzothieno[2,3-a]carbazole

MDL Number

MFCD30291519

FAQ

What are the physical and chemical properties of 12H-[1]Benzothieno[2,3-a]carbazole (CAS: 222-21-9)?

12H-[1]Benzothieno[2,3-a]carbazole (CAS: 222-21-9) is a crystalline compound with a molecular weight of approximately 316.23 g/mol. It has poor water solubility but is soluble in organic solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF). The compound is known for its high reactivity under certain conditions, particularly in the presence of strong acids or bases. It exhibits excellent stability under normal storage conditions but can degrade upon exposure to air and light.

How is 12H-[1]Benzothieno[2,3-a]carbazole (CAS: 222-21-9) typically synthesized?

12H-[1]Benzothieno[2,3-a]carbazole (CAS: 222-21-9) is typically synthesized through a multi-step process involving the condensation of thieno[2,3-a]carbazole with 1,3-benzothiazole. Common synthetic methods include the use of Lewis acids as catalysts, such as aluminum trichloride (AlCl3), to promote the reaction. The yield is usually moderate to good, with product purity enhanced through recrystallization techniques.

What industries use 12H-[1]Benzothieno[2,3-a]carbazole (CAS: 222-21-9)?

12H-[1]Benzothieno[2,3-a]carbazole (CAS: 222-21-9) is widely used in the semiconductor industry for its excellent electron transport properties. It is also applied in the polymer industry, particularly in the development of conjugated polymers for optoelectronic devices. Additionally, it finds applications in sensors due to its unique optical properties and in pharmaceuticals for its electronic structure.

What precautions should be taken when handling 12H-[1]Benzothieno[2,3-a]carbazole (CAS: 222-21-9)?

When handling 12H-[1]Benzothieno[2,3-a]carbazole (CAS: 222-21-9), it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct light and air. In case of a spill, it is recommended to use appropriate containment and clean-up methods, and to refer to the Material Safety Data Sheet (MSDS) for detailed instructions. Handling should be conducted in a fume hood to minimize exposure to fumes.