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1-(4,6-dibromothieno[3,4-b]thiophen-2-yl)octan-1-one is a complex chemical compound with the molecular formula C14H17Br2OS. It is a derivative of thiophene, a heterocyclic compound that contains sulfur. This specific derivative is characterized by the presence of bromine atoms, a ketone group, and a long hydrocarbon chain with eight carbon atoms. The incorporation of thieno[3,4-b]thiophene into its structure adds to its complexity, making it a significant compound for research and development in various fields.

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  • 1327334-59-7 Structure
  • Basic information

    1. Product Name: 1-(4,6-dibroMothieno[3,4-b]thiophen-2-yl)octan-1-one
    2. Synonyms: 1-(4,6-dibroMothieno[3,4-b]thiophen-2-yl)octan-1-one
    3. CAS NO:1327334-59-7
    4. Molecular Formula: C14H16Br2OS2
    5. Molecular Weight: 424.21424
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 1327334-59-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 464.0±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.598±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-(4,6-dibroMothieno[3,4-b]thiophen-2-yl)octan-1-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(4,6-dibroMothieno[3,4-b]thiophen-2-yl)octan-1-one(1327334-59-7)
    11. EPA Substance Registry System: 1-(4,6-dibroMothieno[3,4-b]thiophen-2-yl)octan-1-one(1327334-59-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1327334-59-7(Hazardous Substances Data)

1327334-59-7 Usage

Uses

Used in Pharmaceutical Industry:
1-(4,6-dibromothieno[3,4-b]thiophen-2-yl)octan-1-one is used as a pharmaceutical compound for its potential therapeutic applications. Its unique molecular structure, which includes bromine atoms and a ketone group, may contribute to its biological activity, making it a candidate for the development of new drugs.
Used in Materials Science:
In the field of materials science, 1-(4,6-dibromothieno[3,4-b]thiophen-2-yl)octan-1-one is utilized for its potential to contribute to the development of novel materials with specific properties. Its complex molecular structure and the presence of heteroatoms such as sulfur and bromine may endow it with unique characteristics that can be harnessed in material design.
Used in Organic Synthesis:
1-(4,6-dibromothieno[3,4-b]thiophen-2-yl)octan-1-one serves as a key intermediate in organic synthesis. Its versatile structure allows for further chemical modifications, enabling the synthesis of a wide range of compounds with diverse applications in various industries.
Overall, the unique molecular structure and properties of 1-(4,6-dibromothieno[3,4-b]thiophen-2-yl)octan-1-one make it a valuable compound for research and development in multiple fields, including pharmaceuticals, materials science, and organic synthesis. Its potential applications highlight the importance of further investigation into its properties and possible uses.

Check Digit Verification of cas no

The CAS Registry Mumber 1327334-59-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,2,7,3,3 and 4 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1327334-59:
(9*1)+(8*3)+(7*2)+(6*7)+(5*3)+(4*3)+(3*4)+(2*5)+(1*9)=147
147 % 10 = 7
So 1327334-59-7 is a valid CAS Registry Number.

1327334-59-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4,6-dibromothieno[2,3-c]thiophen-2-yl)octan-1-one

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

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More Details:1327334-59-7 SDS

1327334-59-7Relevant articles and documents

New low band gap thieno[3,4-b]thiophene-based polymers with deep HOMO levels for organic solar cells

Wakim, Salem,Alem, Salima,Li, Zhao,Zhang, Yanguang,Tse, Shing-Chi,Lu, Jianping,Ding, Jianfu,Tao, Ye

, p. 10920 - 10928 (2011)

Two new soluble alternating alkyl-substituted benzo[1,2-b:4,5-b′] dithiophene and ketone-substituted thieno[3,4-b]thiophene copolymers were synthesized and characterized. We found that grafting 3-butyloctyl side chains to the benzo[1,2-b:4,5-b′]dithiophene unit at C4 and C8 afforded the resulting polymer (P1) a high hole mobility (~10-2 cm2 Vs-1) and a low-lying HOMO energy level (5.22 eV). Preliminary experiments in bulk heterojunction solar cells using P1 as the electron donor demonstrated a high power conversion efficiency of 4.8% even with PC 61BM as the electron acceptor. The introduction of an electron-withdrawing fluorine atom into the thieno[3,4-b]thiophene unit at the C3 position (P2) lowers the HOMO energy level and consequently improves the open circuit voltage from 0.78 to 0.86 V. These values are about 0.1 V higher than those reported for their analogues based on alkoxy-substituted benzo[1,2-b:4,5-b′]dithiophene. This work demonstrates that the replacement of the alkoxy chains on the benzo[1,2-b:4,5-b′]dithiophene unit with less electron-donating alkyl chains is able to lower the HOMO energy levels of this class of polymers without increasing their band gap energy.

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