2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene

Basic Information

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CAS Number

1294515-75-5

Molecular Formula

C26H36Br2O2S2

Molecular Weight

604.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

61.0 to 65.0 deg-C

Boiling Point

632.3±50.0 °C at 760 mmHg

Flash Point

336.2±30.1 °C

Solubility

Insuluble (9.1E-8 g/L) (25 ºC),

Vapor Pressure

0.0±1.8 mmHg at 25°C

SMILES

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CCCCCCCCOC1=C2C=C(SC2=C(C3=C1SC(=C3)Br)OCCCCCCCC)Br

InChI

InChI=1S/C26H36Br2O2S2/c1-3-5-7-9-11-13-15-29-23-19-17-21(27)32-26(19)24(20-18-22(28)31-25(20)23)30-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3

InChIKey

GXGDTYKIKNMZTM-UHFFFAOYSA-N

LogP

11.119599999999986

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

468

Synonyms & References

English

2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene
2,6-Dibromo-4,8-bis(n-octyloxy)benzo[1,2-b:4,5-b']dithiophene
2,6-dibromo-4,8-dioctoxythieno[2,3-f][1]benzothiole
AX8282308
D4621
2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']bisthiophene
2,6-Dibromo-4,8-bis(n-octyloxy)benzo[1,2-b:4,5-b]dithiophene
MFCD27923048
1294515-75-5
Benzo[1,2-b:4,5-b']dithiophene, 2,6-dibromo-4,8-bis(octyloxy)-
SCHEMBL12667470
CS-0167971
2,6-Dibromo-4,8-bis(n-octyloxy)benzo[1,2-b:4,5-b']-dithiophene
5,11-DIBROMO-2,8-BIS(OCTYLOXY)-4,10-DITHIATRICYCLO[7.3.0.0(3),?]DODECA-1,3(7),5,8,11-PENTAENE
DTXSID80738238
A888853
D90309
AMY27104

MDL Number

MFCD27923048

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene (CAS: 1294515-75-5)?

2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene is a crystalline compound with a molecular weight of approximately 708.06 g/mol. It has low solubility in water but is more soluble in organic solvents like chloroform and toluene. Chemically, it shows reactivity towards nucleophiles and can undergo substitution reactions. Its thiophene rings make it suitable for use in electronic and optoelectronic applications.

How is 2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene (CAS: 1294515-75-5) typically synthesized?

2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene is synthesized through a multi-step process involving the bromination of a diol derivative followed by the introduction of the octyloxy groups. This process requires careful control of reaction conditions to achieve high selectivity and yield. Commonly used catalysts include transition metals like palladium, and the reaction is typically conducted in an inert atmosphere to prevent side reactions.

What industries use 2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene (CAS: 1294515-75-5)?

2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene is primarily used in the semiconductor and optoelectronics industries for the fabrication of organic electronic devices, such as organic light-emitting diodes (OLEDs) and organic photovoltaic cells. It is also applied in the pharmaceutical industry for the synthesis of certain drug candidates and in the polymer industry for the development of advanced materials with specific electronic properties.

What precautions should be taken when handling 2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene (CAS: 1294515-75-5)?

Proper handling of 2,6-Dibromo-4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene requires the use of personal protective equipment (PPE) such as gloves, goggles, and laboratory coats. The compound should be stored in a closed, dry container in a cool, well-ventilated area. Fume hoods should be used during handling to minimize exposure. In the event of a spill, it is important to clean up immediately using appropriate cleaning agents and to consult the Safety Data Sheet (SDS) for specific instructions.