Poly(9,9-dioctylfluorene) (PF8) , CAS No.19456-48-5

CAS: 19456-48-5 Cat. No.: P1504868

Storage

Room temperature

Specifiche

Condizioni di conservazione di stoccaggio

Room temperature

Application Protocols

No biological assay protocols are associated with this materials product. For thin‑film and device fabrication, the following generic lab protocols (literature) are commonly used:

• Thin‑film preparation (spin coating):

  1. Prepare 10 mg/mL PF8 solution in chlorobenzene; stir at 80 °C for 2 h until clear. 2) Cool and 0.2 µm filter. 3) Spin coat on cleaned substrate at 2000 rpm for 45 s. 4) Bake at 100 °C for 20 min in N2. 5) Characterize by UV‑Vis/PL and profilometry.

• Emissive device quick‑start (research):

  1. Prepare ITO/PEDOT:PSS anode. 2) Deposit PF8 layer as above. 3) Optionally dope/blend with 0.5–5 wt% fluorescent dye to shift emission. 4) Thermally evaporate Ca/Al cathode. 5) Test under N2; record J–V–L and EL spectra.

• Film quality control:

  • Filter solutions; use low‑particle substrates; inspect by optical microscopy/AFM. Measure PL quantum yield and CIE coordinates if relevant.

These examples are for materials research only and are not product‑specific performance guarantees. Adjust concentrations, speeds, and anneals to meet your device and substrate requirements.

Biological Roles

PF8 is a synthetic, non-biodegradable π‑conjugated polymer designed for materials science and organic electronics. It does not have inherent biological roles, metabolic functions, or signaling activities.

• Not typically used in biochemistry or cellular pathways.
• If interfaced with biology (e.g., as a fluorescent film or sensor substrate), use is strictly for device/surface applications and requires independent biocompatibility assessment.

For any biological handling or exposure concerns, consult the SDS and institutional biosafety guidelines. Research use only.

Buffer Applications

PF8 is not a buffering agent and is insoluble in aqueous media. It has no role in preparing biological or analytical buffer systems.

• For aqueous work, PF8 is typically deposited as a hydrophobic thin film on substrates rather than dissolved in buffer.
• Refer instead to the Solvent Selection and Reaction & Applications sections for guidance on solution preparation and thin‑film processing in organic media.

Green Alternatives

While halogenated aromatics (chlorobenzene, o‑dichlorobenzene) are common for PF8 due to excellent solubility, several greener processing routes are viable. Tradeoffs relate to solubility limits, drying rate, and film morphology.

• Greener solvent options (literature):

  • Toluene / Xylene / Mesitylene: Non‑chlorinated aromatics with lower toxicity; good solubility for many PF8 batches. Faster evaporation may require process tuning to avoid defects.
  • Anisole: EHS‑friendlier aromatic ether; intermediate boiling point and moderate solvating power for PF8.
  • p‑Cymene or Ethylbenzene: Viable non‑chlorinated aromatics; check dissolution kinetics at desired concentrations.
  • Cyclopentyl methyl ether (CPME) or 2‑MeTHF (blends): Can be used as co‑solvents to adjust viscosity/evaporation; confirm compatibility and complete dissolution.

• Comparison (general):

  • Solubility: o‑DCB ≈ chlorobenzene > mesitylene ≈ xylene ≈ toluene > anisole > ethers (co‑solvent use).
  • Environmental profile: non‑chlorinated aromatics and anisole typically rate better on EHS metrics than chlorinated solvents.
  • Film quality: Slower‑evaporating, higher‑boiling solvents often yield smoother films; with greener choices, optimize spin speed, temperature, and additive content.

• Process strategies to enable greener media:

  • Use mild heating (50–100 °C) and extended stirring to fully dissolve higher‑Mn material in non‑chlorinated aromatics.
  • Employ binary solvent systems (e.g., toluene:mesitylene 1:1) to balance solubility and dry‑down.
  • Filter warm solutions and implement post‑deposition anneals to reduce pinholes.

Note: Always validate optical/electronic performance under the new solvent system, as β‑phase content and PL linewidth can shift with processing history.

Pharmaceutical Uses

PF8 is a research‑grade materials science polymer with no role as an API or excipient in pharmaceutical formulations.

• Not described in pharmacopeial monographs for drug product use.
• Any use would be limited to materials/device research (e.g., optoelectronic components) and not for human or veterinary administration.

Research use only.

Physical Properties

Item-specific specifications (exact values) are not provided for this product; consult the CoA/Spec Sheet for batch data. The following characteristics are general for PF8 and are labeled as literature/typical where applicable.

• Appearance (item-specific): Not specified for this item; refer to CoA/Spec Sheet. (Typically a blue-to-purple solid powder or flake, literature.)
• Glass transition, Tg (literature): Often reported in the ~80–130 °C range; varies with molecular weight, dispersity, and thermal history.
• Thermal behavior (literature): No true melting point (amorphous/semicrystalline polymer); onset of thermal decomposition commonly >300 °C under nitrogen (TGA, literature), subject to formulation and residual catalyst.
• Density (literature): Polymer bulk density typically around 1.0–1.2 g/cm³; depends on film morphology and processing.
• Solubility (literature):
  • Good solubility in aromatic and moderately polar aprotic solvents: toluene, xylene, mesitylene, chlorobenzene, o‑dichlorobenzene (o‑DCB), tetrahydrofuran (THF) at room temperature to mildly elevated temperatures.
  • Poorly soluble/insoluble in alcohols, ketones with high polarity (acetone), water, and aliphatic hydrocarbons at ambient conditions.
• Optical properties (literature):
  • Absorption maximum typically in near‑UV (≈370–390 nm in solution).
  • Photoluminescence in the blue region (≈430–450 nm); solid‑state may exhibit a "β‑phase" with a more structured/narrow emission.
• Electronic levels (literature): HOMO often reported near −5.8 eV and LUMO near −2.4 eV (exact values depend on measurement method and batch).
• Viscosity (solution, literature): Strongly dependent on Mn and concentration; solutions of 5–20 mg/mL in chlorobenzene/o‑DCB are commonly processable for spin casting.

Quality and Grades

• Grade/Purity (item-specific): Not specified for this item; refer to CoA/Spec Sheet.

• How PF8 quality is typically defined (general guidance for conjugated polymers):

  • Molecular weight & dispersity: Reported as Mn, Mw, and Đ (PDI) by GPC/SEC relative to polystyrene standards. These parameters strongly influence viscosity, film formation, charge transport, and emission linewidths.
  • Regioregularity/structural integrity: For PF8 made by Yamamoto or Suzuki coupling, 2,7‑linkage fidelity and minimal branching/defects are critical; assessed by 1H/13C NMR and sometimes MALDI‑TOF for oligomer fingerprints.
  • Residual metals: Ni, Pd, or other catalyst residues quantified by ICP‑MS/OES; lower residuals are desirable for electronic performance and stability.
  • Optical metrics: UV‑Vis/PL spectra, absolute PL quantum yield (solution/film), and color coordinates (CIE) to benchmark emissive quality.
  • Thermal metrics: TGA (onset/5% mass loss) and DSC (Tg, possible crystallization) to inform processing windows.
  • Purity/ash content: Inorganic ash after combustion and residual solvent/monomer content (GC, TGA‑MS).
  • Particulate cleanliness: Filtration grade and gel content for defect‑free films.

• Implications for use: Higher Mn often enhances mechanical robustness but can hinder solubility; lower Đ improves reproducibility of device performance. Low metal content and narrow optical signatures are preferred for OLED/OPV research. Always match batch specs (CoA) to your device/process requirements.

Reaction and Applications

PF8 is not generally used as a reagent; its primary applications are as a functional material in organic electronics and photonics. The following use-cases summarize typical research applications (literature):

• OLED/PLED emissive layers:

  • Blue emitter with strong π–π* absorption in near‑UV and blue PL in thin films. Film morphology control (solvent, additives, thermal/solvent annealing) tunes β‑phase content for narrowband emission.
  • Compatible with solution processing (spin coating, blade coating, inkjet). Typical solution concentrations: 5–20 mg/mL in chlorobenzene or o‑DCB; filtration (0.2 µm PTFE) recommended.

• Host/guest systems: Can be blended with fluorescent or phosphorescent dopants; host energy levels (HOMO/LUMO, literature) suit certain blue dopants. Control phase separation via solvent selection and drying kinetics.

• OFET channels: As a semiconducting polymer, PF8 can form field‑effect channels; mobility is sensitive to molecular weight, thermal treatment, and substrate surface energy.

• OPV/interlayers and photonic structures: Occasionally used in tandem as an optical spacer or to tailor refractive index; high PL enables sensor and laser cavity studies (waveguiding, amplified spontaneous emission).

• Patterning: Compatible with orthogonal lithography using fluorinated or alcohol‑based developers when crosslinked or protected; otherwise pattern via subtractive (oxygen plasma with masking) or additive (inkjet) methods.

Practical tips:

• Minimize oxygen and UV exposure during processing to reduce photooxidation and maintain PL.
• Substrate treatments (OTS HMDS, UV‑ozone) strongly influence wetting and film uniformity; pre‑screen for your solvent system.
• Gentle post‑bake (80–150 °C) can remove residual solvent and tune microstructure without degrading the polymer.

Reaction Conditions

PF8 is generally processed, not reacted. Below are typical processing conditions for solution preparation and thin‑film deposition (literature/general guidance; optimize per setup):

• Solution preparation:

  • Concentration: 5–20 mg/mL in chlorobenzene or o‑dichlorobenzene; 5–15 mg/mL in toluene/xylene/mesitylene depending on Mn.
  • Dissolution: Stir 1–12 h at 50–100 °C until fully dissolved; cool to room temperature, then filter through 0.2 µm PTFE.

• Spin coating:

  • Substrates: ITO/glass with PEDOT:PSS, quartz, or Si/SiO2.
  • Speeds: 1000–3000 rpm for 30–60 s to achieve ≈30–120 nm films (thickness depends on solution viscosity and rpm).
  • Post‑bake: 80–150 °C for 10–30 min in N2 to remove residual solvent and adjust morphology.

• Blade/slot‑die coating:

  • Temperatures: 25–80 °C stage; gap 50–200 µm; line speeds adjusted to solvent volatility.

• β‑phase induction (optional):

  • Solvent/thermal history can promote β‑phase with narrower emission; strategies include slow drying (higher‑boiling solvent), mild thermal anneal (100–130 °C), or selective solvent vapor exposure.

• Device assembly (OLED/PLED example):

  • Typical stack (example): ITO/PEDOT:PSS/PF8/Ca/Al; deposition of cathode under high vacuum. All layers processed in inert atmosphere to maintain optical/electronic performance.

Note: These are literature‑style ranges provided for planning; they are not product specifications. Validate conditions on your equipment.

Safety and Handling

• GHS/Classification (item-specific): Not specified for this item; refer to the SDS for authoritative hazard classification, pictograms, and H‑/P‑statements.
• General hazards (polymer, literature/typical):
  • Combustible organic solid; dust may form explosive mixtures with air. Avoid ignition sources and accumulation of fine dust.
  • Thermal decomposition can release irritating fumes (e.g., aromatic compounds). Process with adequate ventilation and temperature control.
  • May cause mechanical irritation to eyes/skin as particulate; low volatility implies limited inhalation hazard unless dust is generated.
• PPE (good laboratory practice): Safety glasses, lab coat, suitable gloves (e.g., nitrile). Use a dust mask/respirator if handling powders that can become airborne; consult SDS.
• Handling guidance:
  • Process in a fume hood for solution preparation and thermal treatments.
  • Filter solutions (e.g., 0.2 µm PTFE) to remove particulates before film deposition to reduce defects.
  • Protect materials and solutions from prolonged UV exposure to minimize photooxidation.
• Incompatibilities (general): Strong oxidizers, strong acids, and halogenating agents can attack the aromatic backbone; avoid contact. Prevent exposure to ozone/UV that can induce chain scission.
• First aid (overview; consult SDS):
  • Eye/skin contact: Rinse with water; seek medical advice if irritation persists.
  • Inhalation of dust: Move to fresh air; seek medical attention if symptoms occur.
  • Ingestion: Rinse mouth; do not induce vomiting; obtain medical attention.
• Waste: Treat as polymeric organic waste; follow institutional and local regulations.

Solvent Selection

PF8 is an apolar-to-moderately polar, aromatic, conjugated polymer with long alkyl side chains. Solvent choice primarily affects solubility, chain conformation, aggregation, and ultimately film morphology and photophysics.

• Preferred solvents (literature):

  • Aromatics: toluene, xylene, mesitylene (good room‑temperature solubility, relatively benign vs chlorinated).
  • Halogenated aromatics: chlorobenzene, o‑dichlorobenzene (excellent solubility; useful for high‑Mn or concentrated solutions and slow film drying).
  • Ethers: THF (good at RT), anisole (greener aromatic ether alternative; moderate solubility).

• Limited/Poor solvents: Alcohols (MeOH/EtOH/i‑PrOH), water, acetonitrile; also many aliphatic hydrocarbons at ambient conditions.

• Miscibility/processing notes:

  • Mixed solvents (e.g., toluene:o‑DCB, anisole:mesitylene) allow tuning of drying rate to control β‑phase content and surface roughness.
  • Elevated temperatures (50–120 °C) can increase solubility for high‑concentration inks; cool and filter before coating to remove gels.

• When to choose what (practical):

  • Choose chlorobenzene/o‑DCB for highest solubility and smoother films at slower evaporation rates.
  • Choose toluene/xylene/mesitylene to avoid chlorinated solvents and to promote faster drying; may favor different solid‑state phases.
  • Choose anisole for a greener profile with moderate evaporation rate; verify complete dissolution for high‑Mn samples.

• Dielectric/polarity (literature, indicative): Aromatic solvents ε ≈ 2.3–5; low polarity minimizes backbone charge screening and can favor higher PL quantum yields relative to more polar media.

Storage and Reconstitution

• Storage conditions (item-specific): Room temperature.

• Recommended best practice (general for conjugated polymers):

  • Store in a dry, dark place, preferably under inert gas (N2 or Ar) in an amber bottle to minimize photooxidation and chain scission.
  • Keep tightly sealed with desiccant. Avoid prolonged exposure to UV light, ozone, and heat.
  • For long‑term storage, consider refrigeration (2–8 °C) if permissible by your process, but allow to equilibrate to room temperature in a dry environment before opening to prevent moisture condensation.

• Reconstitution/solution preparation (general):

  • Select a suitable solvent (see Solvent Selection). Common choices: chlorobenzene, o‑dichlorobenzene, toluene, xylene, mesitylene, anisole.
  • Target 5–20 mg/mL; heat gently (50–100 °C) with stirring until fully dissolved.
  • Filter through a 0.2 µm PTFE syringe filter prior to coating/printing to remove particulates and gels.
  • Use freshly prepared solutions when possible; store working solutions under inert atmosphere, protected from light, at room temperature to 40 °C for short periods. Discard if significant viscosity/color change or precipitation occurs.

• Shipping (item-specific): Shipped In: Not specified for this item; refer to CoA/Spec Sheet.

Research Use Note: For research use only.

Structure and Identity

Poly(9,9-dioctylfluorene) (PF8, commonly also referred to as PFO) is a π-conjugated, blue-emissive poly(fluorene) with pendant branched alkyl chains that impart solubility and processability.

• Product identifiers (item-specific):

  • SKU: P1504868
  • Product Name: Poly(9,9-dioctylfluorene) (PF8)
  • CAS: 19456-48-5
  • Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet. (Note: as a polymer, exact empirical formula depends on chain length.)
  • Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet. (Polymeric; typically reported as Mn/Mw by GPC.)
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not applicable for polymers; not specified for this item.

• Structural features (general/literature description):

  • Backbone: Repeating fluorene units connected through the 2,7-positions to form a rigid, linear, conjugated backbone.
  • Side chains: Each fluorene unit bears two n‑octyl groups at the bridgehead (9,9-) carbon, increasing solubility and controlling solid-state packing.
  • Conjugation: Delocalized π-system along the backbone supports efficient photoluminescence and charge transport.
  • Stereochemistry: No defined stereocenters in the repeat unit; tacticity is not typically specified for PF8.
  • 2D description in words: An aromatic polycyclic core (fluorene: fused biphenyl with a five-membered bridging ring) repeats linearly; at the bridgehead carbon two linear C8H17 chains project out of plane on each repeat, spacing chains and reducing aggregation.

• Synonyms (general): PF8, PFO, poly(9,9-dioctyl-9H-fluorene).

Synthetic Utility

As a finished conjugated polymer, PF8 is generally an end‑use material rather than a synthetic intermediate. Nevertheless, understanding its chemical reactivity can guide post‑processing or functionalization strategies (literature/general):

• Backbone stability: The 2,7‑linked fluorene backbone is robust under neutral and mildly basic conditions; susceptible to oxidative degradation under UV/ozone or strong electrophiles.
• Side‑chain effects: The 9,9‑dioctyl substituents enhance solubility and impede close π–π stacking; they also provide handles for post‑deposition crosslinking if pre‑functionalized (not typical for neat PF8).
• Post‑functionalization (advanced research): Limited direct modification on the polymer is reported (e.g., electrophilic substitutions on residual unreacted sites or via pre‑installed functional groups). In most cases, functionality is introduced at the monomer stage prior to polymerization.
• Blends and composites: PF8 is frequently combined with small‑molecule emitters, acceptors, or nanoparticles to tune emission color, charge balance, or mechanical behavior.

For synthetic chemists, PF8 primarily serves as a benchmark blue‑emissive matrix for device prototyping rather than a transformable substrate. If covalent modification is required, consider synthesizing tailored fluorene monomers (e.g., 2,7‑dibromo‑9,9‑dioctylfluorene derivatives) and repolymerizing to achieve the desired functionality.

Target Specificity

Not applicable. This product is a polymeric materials reagent, not a biological targeting agent or antibody. No antigen, epitope, species reactivity, clone, or isotype information applies.