Description

5,6-Difluoro-2-(2-hexyldecyl)-4,7-bis(5-(trimethylstannyl)thiophen-2-yl)-2H-benzo[d][1,2,3]triazole (CAS: 2365391-00-8) is a highly specialized organotin compound designed for advanced research applications. With the molecular formula C₃₆H₅₅F₂N₃S₂Sn₂, this compound features a unique benzotriazole core functionalized with fluorine atoms and trimethylstannyl-thiophene moieties, offering exceptional reactivity and selectivity in cross-coupling reactions. Its branched 2-hexyldecyl chain enhances solubility in organic solvents, making it ideal for solution-processed materials. This high-purity reagent is rigorously tested for consistency and is suitable for use in organic electronics, polymer chemistry, and materials science research. Store under inert conditions to maintain stability.

Properties

• CAS Number: 2365391-00-8
• Complexity: 822
• IUPAC Name: [5-[5,6-difluoro-2-(2-hexyldecyl)-7-(5-trimethylstannyl-2-thienyl)benzotriazol-4-yl]-2-thienyl]-trimethyl-stannane
• InChI: InChI=1S/C30H37F2N3S2.6CH3.2Sn/c1-3-5-7-9-10-12-16-22(15-11-8-6-4-2)21-35-33-29-25(23-17-13-19-36-23)27(31)28(32)26(30(29)34-35)24-18-14-20-37-24;;;;;;;;/h13-14,17-18,22H,3-12,15-16,21H2,1-2H3;6*1H3;;
• InChI Key: HSSKGTNJLFIDAG-UHFFFAOYSA-N
• Exact Mass: 869.18436
• Molecular Formula: C36H55F2N3S2Sn2
• Molecular Weight: 869.4
• SMILES: CCCCCCCCC(CCCCCC)CN1N=C2C(=C(C(=C(C2=N1)C3=CC=C(S3)[Sn](C)(C)C)F)F)C4=CC=C(S4)[Sn](C)(C)C
• Topological: 87.2
• Monoisotopic Mass: 871.18495
• Synonyms: 2365391-00-8, 5,6-Difluoro-2-(2-hexyldecyl)-4,7-bis(5-(trimethylstannyl)thiophen-2-yl)-2H-benzo[d][1,2,3]triazole

Application

This compound is primarily used as a key monomer or intermediate in the synthesis of conjugated polymers for organic photovoltaics (OPVs) and organic field-effect transistors (OFETs). Its stannyl groups facilitate efficient Stille cross-coupling reactions, enabling the construction of high-performance semiconducting materials. Researchers also employ it in the development of near-infrared (NIR) absorbing dyes and as a building block for donor-acceptor copolymers. Its fluorine substitution enhances charge transport properties, making it valuable for optoelectronic applications.

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