Description
1,4-Diiodo-2,5-dioctylbenzene (CAS No. 171569-01-0) is a high-purity, organoiodine compound with the molecular formula C22H36I2. This crystalline solid is characterized by its two iodine substituents at the 1 and 4 positions and two octyl chains at the 2 and 5 positions of the benzene ring, offering unique reactivity and solubility properties. Ideal for advanced organic synthesis, this compound serves as a versatile building block in the development of liquid crystals, organic semiconductors, and functional materials. Its extended alkyl chains enhance solubility in non-polar solvents, facilitating its use in solution-phase chemistry. Packaged under inert conditions to ensure stability, this product is rigorously tested for purity (typically >95% by HPLC or GC analysis) and is available in research quantities with detailed technical data.
Properties
- CAS Number: 171569-01-0
- Complexity: 251
- IUPAC Name: 1,4-diiodo-2,5-dioctyl-benzene
- InChI: InChI=1S/C22H36I2/c1-3-5-7-9-11-13-15-19-17-22(24)20(18-21(19)23)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
- InChI Key: JNTDOQWSWMNCCX-UHFFFAOYSA-N
- Exact Mass: 554.09065
- Molecular Formula: C22H36I2
- Molecular Weight: 554.3
- SMILES: CCCCCCCCC1=CC(=C(C=C1I)CCCCCCCC)I
- Monoisotopic Mass: 554.09065
- Synonyms: 1,4-Diiodo-2,5-dioctylbenzene, 171569-01-0, SCHEMBL675039, DTXSID50584522, AKOS015889139, AS-85940
Application
1,4-Diiodo-2,5-dioctylbenzene is widely employed in materials science as a precursor for Suzuki or Stille cross-coupling reactions to construct π-conjugated systems for organic electronics. Its structure makes it valuable in the synthesis of liquid crystalline materials and charge-transporting polymers for OLEDs and OFETs. Researchers also utilize it as a heavy-atom derivatization agent in X-ray crystallography studies.
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