Description

4-Bromo-5-fluoro-7-(5′-hexyl-[2,2′-bithiophen]-5-yl)benzo[c][1,2,5]thiadiazole (CAS: 1402460-83-6) is a high-purity organic compound with the molecular formula C₂₀H₁₈BrFN₂S₃. This specialized chemical is designed for advanced research applications, particularly in the fields of organic electronics and materials science. Its unique structure, featuring a benzothiadiazole core flanked by bromo and fluoro substituents and a hexyl-bithiophene moiety, makes it an excellent candidate for use in organic semiconductors, photovoltaic materials, and optoelectronic devices. The compound is supplied as a fine powder or crystalline solid with >95% purity (HPLC), ensuring consistency and reliability for experimental use. Proper storage under inert atmosphere at -20°C is recommended to maintain stability.

Properties

• CAS Number: 1402460-83-6
• Complexity: 488
• IUPAC Name: 4-bromo-5-fluoro-7-[5-(5-hexyl-2-thienyl)-2-thienyl]-2,1,3-benzothiadiazole
• InChI: InChI=1S/C20H18BrFN2S3/c1-2-3-4-5-6-12-7-8-16(25-12)17-10-9-15(26-17)13-11-14(22)18(21)20-19(13)23-27-24-20/h7-11H,2-6H2,1H3
• InChI Key: KNNYTUARCHTCIB-UHFFFAOYSA-N
• Exact Mass: 479.97995
• Molecular Formula: C20H18BrFN2S3
• Molecular Weight: 481.5
• SMILES: CCCCCCC1=CC=C(S1)C2=CC=C(S2)C3=CC(=C(C4=NSN=C34)Br)F
• Topological: 111
• Monoisotopic Mass: 479.97995
• Synonyms: 1402460-83-6, 4-Bromo-5-fluoro-7-(5′-hexyl-[2,2′-bithiophen]-5-yl)benzo[c][1,2,5]thiadiazole, 4-bromo-5-fluoro-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole, SCHEMBL15261776, DTXSID001145962, 2,1,3-Benzothiadiazole,4-bromo-5-fluoro-7-(5′-hexyl[2,2′-bithiophen]-5-yl)-, 4-Bromo-5-fluoro-7-(5a(2)-hexyl[2,2a(2)-bithiophen]-5-yl)-2,1,3-benzothiadiazole

This compound is primarily used in the development of novel organic electronic materials, particularly as an electron-accepting component in donor-acceptor copolymers for organic solar cells. Researchers utilize it to study structure-property relationships in conjugated systems for improved charge transport characteristics. Its fluorinated benzothiadiazole core enables fine-tuning of energy levels in organic semiconductors. The hexyl-bithiophene moiety enhances solubility while maintaining desirable electronic properties.

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