2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene

Basic Information

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CAS Number

583050-70-8

Molecular Formula

C30H40S2

Molecular Weight

464.78 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

108-112 °C

SMILES

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CCCCCCCCc1ccc2c(c1)sc1c2sc2c1ccc(c2)CCCCCCCC

InChI

InChI=1S/C30H40S2/c1-3-5-7-9-11-13-15-23-17-19-25-27(21-23)31-30-26-20-18-24(22-28(26)32-29(25)30)16-14-12-10-8-6-4-2/h17-22H,3-16H2,1-2H3

InChIKey

YWIGIVGUASXDPK-UHFFFAOYSA-N

LogP

11.075199999999986

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

473

Synonyms & References

English

C8-BTBT
2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene
[1]Benzothieno[3,2-b][1]benzothiophene, 2,7-dioctyl-
2,7-Dioctyl-[1]benzothiolo[3,2-b][1]benzothiole
2,7-Dioctylbenzo[b]benzo[4,5]thieno[2,3-d]thiophene
2,7-(1-octyl)[1]benzothieno[3,2-b][1]benzothiophene
2,7-Dioctyl[1]?benzothieno[3,2-?b]?[1]?benzothiophene
BTBT-C8;7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene
6-Octyl-3,2-[thio(5-octyl-1,2-phenylene)]benzo[b]thiophene

MDL Number

MFCD28016330

FAQ

What are the physical and chemical properties of 2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene (CAS: 583050-70-8)?

2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene is a crystalline compound with a molecular weight of approximately 418.44 g/mol. It has a low solubility in water but is soluble in organic solvents such as dichloromethane and acetone. This compound exhibits low reactivity under normal conditions but shows significant reactivity under ultraviolet light, similar to other benzothiophene derivatives.

How is 2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene (CAS: 583050-70-8) typically synthesized?

2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene is synthesized via a multistep process involving the bromination of 2,7-dichloro[1]benzothieno[3,2-b][1]benzothiophene followed by a coupling reaction with octyllithium. The process typically yields a product with a purity of over 90%, and the reaction is catalyzed by triphenylphosphine.

What industries use 2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene (CAS: 583050-70-8)?

2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene is used in the electronics industry for the production of organic light-emitting diodes (OLEDs) and photovoltaic devices. It is also utilized in the pharmaceutical industry for the synthesis of certain drugs and in the polymer industry for the development of advanced materials with unique optical and electronic properties.

What precautions should be taken when handling 2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene (CAS: 583050-70-8)?

When handling 2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight, and fume hood use is recommended during handling. In case of spill, the area should be ventilated, and the compound should be handled according to the Material Safety Data Sheet (MSDS) guidelines.