2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene | CAS No. 1336893-15-2

Q: What precautions should be taken when handling 2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene (CAS: 1336893-15-2)?

Proper handling of 2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize exposure. Spills should be cleaned up carefully, and the material should be disposed of according to local regulations. It is important to have a safety data sheet (SDS) readily available for reference.

2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene

Basic Information

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CAS Number

1336893-15-2

Molecular Formula

C34H52Br2O2S2

Molecular Weight

716.73 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

Solubility

Insuluble (9.3E-10 g/L) (25 ºC),

Refractive Index

1.5600-1.5640

SMILES

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CCCCCCC(COc1c2sc(cc2c(c2c1cc(s2)Br)OCC(CCCCCC)CCCC)Br)CCCC

InChI

InChI=1S/C34H52Br2O2S2/c1-5-9-13-15-19-25(17-11-7-3)23-37-31-27-21-29(35)40-34(27)32(28-22-30(36)39-33(28)31)38-24-26(18-12-8-4)20-16-14-10-6-2/h21-22,25-26H,5-20,23-24H2,1-4H3

InChIKey

XXZPBOPQASGASH-UHFFFAOYSA-N

LogP

13.952199999999968

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

601

Synonyms & References

English

2,6-Dibromo-4,8-bis[(2-butyl-n-octyl)oxy]benzo[1,2-b:4,5-b']dithiophene
i>:4,5-<i>b<
2,6-Dibromo-4,8-bis((2-butyloctyl)oxy)benzo[1,2-b:4,5-b']dithiophene
AMY27101
D4592
C(CCC)C(COC1=C2C=C(SC2=C(C=2C=C(SC12)Br)OCC(CCCCCC)CCCC)Br)CCCCCC

MDL Number

MFCD29472521

FAQ

What are the physical and chemical properties of 2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene (CAS: 1336893-15-2)?

2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene is a solid with a crystalline form. Its molecular weight is approximately 614.38 g/mol. The compound is sparingly soluble in common organic solvents. It is not highly reactive under normal conditions but can undergo bromination and oxidation reactions. It has a high boiling point and low vapor pressure.

How is 2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene (CAS: 1336893-15-2) typically synthesized?

2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene is synthesized through a multistep process involving bromination of a thieno[2,3-f][1]benzothiophene derivative followed by alkoxylation using 2-butyloctanol. Commonly used catalysts include sulfuric acid and potassium bromide. The synthetic yield is around 70-80%, and the reaction is typically carried out under mild conditions to ensure selectivity.

What industries use 2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene (CAS: 1336893-15-2)?

2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene is used in the pharmaceutical industry for the development of certain drug candidates. It is also utilized in the polymer industry for enhancing the properties of certain materials. Additionally, it has potential applications in semiconductors and organic electronics due to its unique chemical structure and electronic properties.

What precautions should be taken when handling 2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene (CAS: 1336893-15-2)?

Proper handling of 2,6-Dibromo-4,8-bis[(2-butyloctyl)oxy]thieno[2,3-f][1]benzothiophene requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize exposure. Spills should be cleaned up carefully, and the material should be disposed of according to local regulations. It is important to have a safety data sheet (SDS) readily available for reference.