• 4,5-Difluorophthalonitrile (CAS 134450-56-9) - TCI D3963 - AMI Scientific
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TCI

CAS 134450-56-9

4,5-Difluorophthalonitrile TCI D3963

4,5-Difluorophthalonitrile TCI D3963
Rp 2.923.200,00
Rp 2.923.200,00
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4,5-Difluorophthalonitrile is a phthalocyanine building block: a phthalonitrile derivative carrying two fluorine atoms at the 4 and 5 positions of the benzene ring. In materials science and organic chemistry laboratories, this compound serves as a primary starting material for constructing the phthalocyanine ring through cyclotetramerisation reactions, yielding either metal-free phthalocyanines or complexes with a range of metal ions. Beyond that route, the two fluorine atoms — activated by the adjacent nitrile groups — also open a nucleophilic aromatic substitution pathway, allowing phenoxy, thiophenoxy, or amine groups to be introduced before the cyclisation step is carried out.

The characteristics that make this compound a preferred choice are the combination of two neighbouring nitrile groups that assemble the macrocyclic ring and two fluorine atoms that are highly reactive toward nucleophiles. The strongly electron-withdrawing nitrile groups activate the fluorine positions, so displacement can proceed under relatively mild conditions without damaging the molecular framework. The presence of fluorine in the final product lowers the electron density of the phthalocyanine ring, shifting its electrochemical behaviour and absorption spectrum, while also improving chemical stability and the tendency of the material toward n-type semiconductor character.

In Indonesian laboratories, this building block is typically used in university and institutional research groups working on functional dyes, organic semiconductors, and macrocyclic chemistry. It is normally handled at small synthetic scale on a laboratory bench or in a fume hood, weighed out for cyclotetramerisation or substitution experiments, and stored between runs as part of a broader collection of phthalonitrile precursors used for preparing substituted phthalocyanines and comparing their optical and electronic properties.

  • Phthalocyanine synthesis — the two adjacent nitrile groups undergo cyclotetramerisation to close the macrocyclic ring, giving direct access to metal-free phthalocyanines in a single preparative step.
  • Metallophthalocyanine preparation — cyclotetramerisation carried out in the presence of metal ions produces metal complexes, letting researchers vary the central metal while keeping the fluorinated periphery constant.
  • Nucleophilic aromatic substitution chemistry — the nitrile-activated fluorine atoms are readily displaced by phenoxy, thiophenoxy, or amine nucleophiles, so peripheral groups can be installed before the cyclisation step.
  • Organic semiconductor research — fluorination lowers ring electron density and favours n-type semiconducting behaviour, making derivatives from this precursor useful for studying electron-transporting organic materials.
  • Electrochemical and spectroscopic studies — because fluorine substitution shifts both redox behaviour and absorption spectra, this building block supports systematic comparison of substituent effects across phthalocyanine series.

Brand TCI
CAS number 134450-56-9
Molecular formula —
Purity —
Category Materials Science > Material Building Blocks > Phthalocyanine Building Blocks
Pack sizes available in standard TCI laboratory research pack sizes; please confirm the currently listed packaging options when ordering
Physical form —
Storage store according to the conditions stated on the manufacturer's label and safety data sheet
  • Product code: D3963
  • Chemical name: 4,5-Difluorophthalonitrile

Store the container tightly closed in a cool, dry, well-ventilated area, away from direct sunlight, heat sources, moisture, and incompatible chemicals such as strong oxidising agents and strong bases. Keep the material in its original manufacturer container, or in a clean, chemically compatible and clearly labelled vessel if transferred. Handle and weigh the compound inside a fume hood, and wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and a laboratory coat. Avoid inhalation of dust and direct contact with skin or eyes. Reseal the container promptly after use to limit moisture uptake, and always consult the manufacturer's safety data sheet before handling or disposal.

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