4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine

Basic Information

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CAS Number

1047684-56-9

Molecular Formula

C30H36N2S2

Molecular Weight

488.77 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

SMILES

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CCCCCCC1=CC=C(C2=CC(C3=NC=CC(C4=CC=C(CCCCCC)S4)=C3)=NC=C2)S1

InChI

InChI=1S/C30H36N2S2/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3

InChIKey

DCFNCZSDXIPGOQ-UHFFFAOYSA-N

LogP

9.846199999999996

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

510

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4,4'-Bis(5-hexylthiophen-2-yl)-2,2'-bipyridine
4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridyl
2,2'-Bipyridine, 4,4'-bis(5-hexyl-2-thienyl)-
4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine
4,4'-dihexylthiophene-2,2'-bipyridine
4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)pyridin-2-yl]pyridine
C30H36N2S2
1060AA
AK120398
SY055673
AX8245814
B4420
ST24042494
2,2-Bipyridine, 4,4-bis(5-hexyl-2-thienyl)-
4,4 inverted exclamation mark -Bis(5-hexyl-2-thienyl)-2,2 inverted exclamation mark -bipyridyl
4,4'-bis(5-hexylthiophen-2-yl)-2,2'-bipyridine

MDL Number

MFCD22581259

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine (CAS: 1047684-56-9)?

4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine (CAS: 1047684-56-9) is a crystalline compound with a molecular weight of approximately 468.42 g/mol. It has low solubility in water but good solubility in organic solvents such as dichloromethane and toluene. The compound is known for its photostability and high electron mobility, making it reactive in redox processes.

How is 4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine (CAS: 1047684-56-9) typically synthesized?

4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine (CAS: 1047684-56-9) is synthesized through a sequential functionalization of 2,2'-bipyridine with hexyl thioether groups, typically using Grignard reagents or organometallic compounds as catalysts. The synthesis yields a product with high purity and selectivity, often achieving yields of over 80%.

What industries use 4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine (CAS: 1047684-56-9)?

4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine (CAS: 1047684-56-9) is primarily used in the development of organic electronics, including organic light-emitting diodes (OLEDs) and solar cells, due to its excellent photophysical properties and electron mobility. It is also utilized in the pharmaceutical industry for its potential in electronic-based drug delivery systems and in polymer chemistry for the synthesis of new conductive polymers.

What precautions should be taken when handling 4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine (CAS: 1047684-56-9)?

When handling 4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine (CAS: 1047684-56-9), it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local hazardous waste regulations. It is advisable to consult the Material Safety Data Sheet (MSDS) for detailed safety information.