5-Bromo-5'-hexyl-2,2'-bithiophene

Basic Information

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CAS Number

655249-04-0

Molecular Formula

C14H17BrS2

Molecular Weight

329.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

35-40 °C

SMILES

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CCCCCCC1=CC=C(S1)C2=CC=C(S2)Br

InChI

InChI=1S/C14H17BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h7-10H,2-6H2,1H3

InChIKey

QNMUCNVCVAUOQU-UHFFFAOYSA-N

LogP

6.361900000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

222

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

5-Bromo-5'-hexyl-2,2'-bithiophene
5-Bromo-5′-hexyl-2,2′-bithiophene
2-bromo-5-(5-hexylthiophen-2-yl)thiophene
2-(5-Bromothiophen-2-yl)-5-hexylthiophene
5-Bromo-5 inverted exclamation marka-hexyl-2,2 inverted exclamation marka-bithiophene
QNMUCNVCVAUOQU-UHFFFAOYSA-N
DTXSID80732852
655249-04-0
DA-41773
CS-0208684
SB66779
BS-23360
ZB0799
5-Bromo-5'-hexyl-2,2'-bithiophene, 98%
SCHEMBL331160
J-517118
2-BROMO-5-(5-HEXYLTHIOPHEN-2-YL)THIOPHENE

MDL Number

MFCD19687000

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Bromo-5'-hexyl-2,2'-bithiophene (CAS: 655249-04-0)?

5-Bromo-5'-hexyl-2,2'-bithiophene is a crystalline solid with a molecular weight of approximately 319.32 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and acetone. This compound is reactive towards nucleophiles and can undergo substitution reactions. It exhibits good thermal stability up to 250°C and is known for its electronic properties.

How is 5-Bromo-5'-hexyl-2,2'-bithiophene (CAS: 655249-04-0) typically synthesized?

5-Bromo-5'-hexyl-2,2'-bithiophene can be synthesized through the bromination of 5-hexyl-2,2'-bithiophene using N-bromosuccinimide (NBS) as a brominating agent in an organic solvent like dichloromethane. The reaction is typically carried out at room temperature with good selectivity and yield.

What industries use 5-Bromo-5'-hexyl-2,2'-bithiophene (CAS: 655249-04-0)?

5-Bromo-5'-hexyl-2,2'-bithiophene is used in various industries, particularly in semiconductor materials, organic electronics, and sensors. It serves as a key component in the fabrication of organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs).

What precautions should be taken when handling 5-Bromo-5'-hexyl-2,2'-bithiophene (CAS: 655249-04-0)?

When handling 5-Bromo-5'-hexyl-2,2'-bithiophene, it is essential to wear appropriate Personal Protective Equipment (PPE) including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. In case of a spill, immediately clean up using appropriate absorbents and dispose of them according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information.