PDPP3T , CAS No.1198291-01-8

CAS: 1198291-01-8 Cat. No.: P1504872

Storage

Room temperature

Spécifications

Conditions de stockage de stockage

Room temperature

Application Protocols

Item-specific validated protocols are not provided for this lot. The following general, literature-based procedures are offered as starting points and must be optimized in your lab.

Thin-film transistor (OFET) protocol (literature)

• Prepare 10 mg/mL PDPP3T in chlorobenzene. Heat at 80–100 °C with stirring for 2–4 h.
• Filter hot solution (0.2–0.45 µm PTFE). Spin coat onto OTS-treated Si/SiO2 at 1000–2000 rpm.
• Soft-bake at 100 °C for 10 min; anneal at 180–220 °C under N2 for 20–30 min.
• Evaporate Au source/drain or print Ag nanoparticle contacts; measure mobilities under inert atmosphere.

OPV donor layer (literature)

• Prepare a BHJ solution: PDPP3T:NFA or PCBM at donor:acceptor 1:1–1:2 (w/w) in o-DCB with 0–3% DIO.
• Spin coat on ITO/PEDOT:PSS or ITO/MoOx; target active layer thickness 80–150 nm.
• Thermal or solvent-vapor anneal as required; complete with appropriate ETL/HTL and top electrode. Encapsulate.

Notes

• Substrate cleaning and surface treatment (UV–ozone, OTS) can significantly affect morphology and device metrics.
• Optimize concentration, solvent system, substrate temperature, and annealing to your architecture. Always document conditions for reproducibility.

Disclaimer

• These are generalized literature procedures and not guaranteed for this specific item/lot.

Biological Roles

This product is a conjugated semiconducting polymer for materials science applications and is not intended for biological or clinical use.

General context (literature)

• PDPP3T and related DPP-based polymers are designed for optoelectronic performance rather than biological function. They do not have defined roles in metabolism, signaling, or cellular structure.
• In research contexts, conjugated polymers can be investigated as biointerfaces or optical reporters; however, any such use requires dedicated biocompatibility/toxicity assessments and is outside the scope of this product listing.

Research Use Note

• For research use only. Not for diagnostic, therapeutic, or any form of human/animal use.

Buffer Applications

Not typically applicable.

Explanation

• PDPP3T is an insoluble/organosoluble conjugated polymer used for thin-film electronics. It does not function as a buffering agent and is not used to prepare aqueous buffer systems. For relevant guidance, see Solvent Selection and Reaction & Applications for film processing in organic solvents.

Green Alternatives

Context

• Conventional processing of PDPP3T relies on chlorinated aromatics (CB, o-DCB, TCB) due to solubility and morphology control. Greener strategies seek to replace these with lower-toxicity, lower-halogen solvents while maintaining film quality.

Potential alternatives (literature)

• Aromatic hydrocarbons: toluene, o-xylene, mesitylene. Pros: lower toxicity/halogen-free; compatible with large-area coating. Cons: may require higher temperatures, longer dissolution times, and can reduce solubility for some side-chain variants.
• Ethers/anisole: anisole and cyclopentyl methyl ether (CPME) have been explored for some DPP polymers. Pros: greener profiles. Cons: variable solubility; need careful drying to avoid water uptake influencing morphology.
• Esters: propylene carbonate and methyl benzoate are greener but often too polar/viscous; limited success reported for this polymer class.

Comparison (general)

• o-DCB vs o-xylene: o-DCB offers superior solubility at moderate temperature and slower evaporation (good for crystallinity). o-Xylene is less hazardous but often needs elevated substrate temperatures and may yield thinner films at equal spin speeds.
• CB vs anisole: similar boiling points; anisole is greener but may not fully dissolve high-Mn PDPP3T at room temperature.

Practical guidance

• Start with binary solvent systems (e.g., o-xylene + small fraction of high-boiling nonchlorinated cosolvent) and adjust substrate temperature (60–120 °C) to replicate morphology achieved with chlorinated solvents.
• Validate device metrics and film morphology (UV–Vis, AFM, GIWAXS) when switching solvents.

Note

• No specific solvent mandate for this item is provided; consult CoA and pilot studies for your process.

Pharmaceutical Uses

Not applicable as a pharmaceutical ingredient or excipient.

Explanation

• PDPP3T is an electronic-grade conjugated polymer intended for materials science applications (e.g., organic electronics). It is not covered by pharmacopeial monographs, and no excipient roles are established for this class of materials.

Compliance

• Research use only; not for use in humans or animals. No medical or clinical claims are made or implied.

Physical Properties

Item-specific (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight (Mn/Mw, PDI): Not specified for this item; refer to CoA/Spec Sheet.

General/literature characteristics (for PDPP3T-type polymers; values vary by synthesis and side chains)

• Physical form: typically a dark purple/black solid powder due to strong visible–NIR absorption (literature).
• Thermal transitions: decomposition onset Td often >300 °C under N2; glass transition Tg often not sharply observed; exact values are synthesis/side-chain dependent (literature).
• Optical properties: strong absorption in visible–NIR; optical bandgap Eg,opt ≈ 1.3–1.6 eV depending on film processing (literature).
• Electronic levels: HOMO commonly around −5.2 to −5.5 eV; LUMO around −3.6 to −3.9 eV (literature, cyclic voltammetry in thin films).
• Solubility/processing: soluble at room or elevated temperature in chlorinated aromatic solvents (e.g., chlorobenzene, o-dichlorobenzene, 1,2,4-trichlorobenzene) and often in chloroform; limited solubility in nonpolar alkanes and alcohols (literature). Exact solubility for this item is not specified.
• Density, refractive index, logP, pKa: Not typically defined for polymers of this class; not specified for this item.

Notes

• All numerical values above are typical literature ranges for PDPP3T-type polymers and are provided for context only; consult the item’s CoA for measured properties of this lot.

Quality and Grades

Item-specific (from Product Data)

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

How to evaluate quality for PDPP3T (general guidance)

• Molecular weight distribution: Reported as Mn/Mw and dispersity (Đ). These strongly influence charge transport, film morphology, and processability. Request GPC/SEC traces (often in chlorinated solvents at 80 °C with polystyrene standards).
• Regioregularity/defects: 1H/13C NMR (in high-boiling chlorinated solvents) and elemental analysis can indicate end-group fidelity and comonomer incorporation. MALDI may help with oligomer distributions.
• Residual metals/additives: ICP-MS/ICP-OES for Pd/Ni residues from cross-coupling polymerization; low ppm levels are preferred for device reproducibility. Stabilizers (e.g., BHT) are rarely added to such polymers; if present, they should be declared. For this item: stabilizers/additives Not specified.
• Optical/electronic benchmarks: UV–Vis–NIR spectra (solution/film), cyclic voltammetry-derived HOMO/LUMO, and thin-film XRD/GIWAXS for crystallinity and π–π stacking distance.
• Contaminants and volatiles: TGA for residual solvent content; DSC/TGA for thermal profile. Water/peroxide/UV cutoff specs do not apply to a solid polymer; if any such limits are needed for your process, consult the CoA.

Implications

• Higher Mn with moderated Đ (e.g., 1.5–2.5, literature) often gives improved OFET/OPV performance but can reduce solubility; optimal values are application- and process-dependent.

Reaction and Applications

Item-specific (from Product Data)

• Manufacturer applications: Not specified beyond category (Materials Science). Research Use Only.

Applications in materials science (literature)

• Organic field-effect transistors (OFETs): PDPP3T serves as a p-type semiconductor with high hole mobility arising from planar D–A backbone and strong π–π stacking. Mobilities >0.1 cm² V⁻¹ s⁻¹ have been reported depending on molecular weight and processing.
• Organic photovoltaics (OPVs): As donor in BHJ blends with fullerene (e.g., PCBM) or non-fullerene acceptors (NFAs). Exhibits broad absorption and deep HOMO, enabling respectable Voc and Jsc in literature devices.
• Photodetectors/NIR sensors: Strong NIR absorption suits photodiode applications.
• Thermoelectrics and sensing: Doping (e.g., with F4TCNQ) can render conductive films for sensors or TE studies.

Practical processing tips

• Dissolution: Heat and stir in CB or o-DCB; allow several hours for complete dissolution. Sonication can assist but avoid prolonged high-power sonication that may cut chains.
• Film formation: Spin coat at 500–3000 rpm; soft-bake to remove solvent; thermal anneal 120–220 °C under N2 to enhance crystallinity (exact temperatures depend on substrate limits).
• Morphology control: Use small fractions of high-boiling additives (e.g., DIO) and adjust drying time/substrate temperature to tune domain size and molecular orientation.

Note

• The above conditions are general literature practices, not specifications for this item; optimize per device architecture.

Reaction Conditions

Chemical reaction conditions are not typically relevant for PDPP3T as it is an end-use polymer. Instead, the pertinent parameters are processing conditions for thin-film device fabrication. The following are general literature guidelines; they are not specifications for this item.

Solution preparation (literature)

• Concentration: 5–15 mg/mL in chlorobenzene or o-dichlorobenzene; up to 20–25 mg/mL in higher-boiling solvents (e.g., TCB) at 80–120 °C.
• Dissolution: Heat and stir 1–12 h; optional brief sonication. Filter through 0.45 or 0.2 µm PTFE while warm.

Film deposition (literature)

• Spin coating: 500–3000 rpm, 30–90 s; adjust for target thickness. Substrate temperature control (RT–120 °C) can influence crystallinity.
• Blade/slot-die coating: 60–120 °C stage; solvent blends (e.g., CB:o-DCB) for drying control. Flow rates chosen to achieve 50–200 nm films.
• Thermal annealing: 120–220 °C for 10–60 min under N2 to promote π–π stacking; avoid exceeding decomposition onset.

Device stack notes (literature)

• Substrates: Si/SiO2 for OFETs; ITO/PEDOT:PSS or ITO/HILs for OPVs; choose interlayers (e.g., PFN-Br, ZnO, MoOx) compatible with selected solvents.
• Encapsulation: Recommended to minimize oxygen/moisture exposure and drift in performance.

Yields/kinetics

• Not applicable; PDPP3T is not used as a reactant in bench-top organic reactions.

Safety and Handling

Item-specific (from Product Data)

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.
• Storage conditions: Room temperature.

General guidance for conjugated polymer powders (literature/standard practice)

• Handling: Avoid generating dust; use local exhaust ventilation when weighing or transferring. Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves. Wash hands thoroughly after handling.
• Incompatibilities: Strong oxidizers and strong acids/bases may affect the conjugated backbone or side chains. Avoid prolonged exposure to light and elevated temperatures to minimize photo-oxidation.
• Thermal hazards: Conjugated polymers can thermally decompose to release irritant fumes at high temperature; use fume hood for any thermal processing (hotplate/annealing).
• First aid overview: If inhaled (dust), move to fresh air; if on skin, wash with soap and water; if in eyes, rinse cautiously with water for several minutes; if ingested, rinse mouth and seek medical advice. Always consult the product SDS for authoritative instructions.
• Fire safety: Treat as a combustible organic solid. Use CO2, dry chemical, or foam extinguishers. Burning may produce CO/CO2 and sulfur/nitrogen-containing fumes.

Note

• Definitive hazard, exposure limits, and disposal instructions are provided in the SDS. Dispose of polymer waste according to institutional and local regulations for nonhalogenated/halogenated organics as applicable to process solvents.

Solvent Selection

Item-specific (from Product Data)

• Specific solubility and recommended casting solvent system: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for PDPP3T processing (literature)

• Polarity class: weakly polar, aromatic-compatible conjugated polymer.
• Good solvents (common): chlorobenzene (CB), o-dichlorobenzene (o-DCB), 1,2,4-trichlorobenzene (TCB), chloroform (CF). Solubility often improves with temperature (60–120 °C for o-DCB/TCB).
• Alternatives (less chlorinated): toluene, mesitylene, o-xylene, anisole; may require elevated temperature, longer dissolution times, or small fraction of a high-boiling co-solvent.
• Additives: 1,8-diiodooctane (DIO) or diphenyl ether (DPE) as processing additives (0.5–5 v/v%) can modulate morphology in BHJ solar cells (literature). Compatibility must be verified for your formulation.

When to choose which solvent

• Film uniformity and thickness: CB for routine spin coating (5–15 mg/mL). o-DCB/TCB enable slower drying for blade/slot-die coating and larger crystalline domains.
• Device stack compatibility: Avoid solvents that attack underlayers (e.g., water/IPA-sensitive interlayers). CF yields fast drying but can trap defects; CB/o-DCB offer better control of phase separation.

Notes

• Always filter hot solutions (0.45 or 0.2 µm PTFE) before coating.
• Verify solvent purity (water and acid content) to minimize trap states; semiconductor-grade solvents are recommended for high-performance devices.

Storage and Reconstitution

Item-specific (from Product Data)

• Storage conditions: Room temperature.
• Shipped in: Not specified for this item; refer to CoA/Spec Sheet.

General best practices for conjugated polymers

• Keep container tightly closed under dry, inert atmosphere when possible. Store in the dark or amber containers to minimize photo-oxidation.
• Desiccation: Recommended; include a desiccant pack in secondary containment.
• Temperature: Ambient storage is typically acceptable; avoid prolonged exposure above 40 °C. For long-term storage, consider cool, dry conditions.

Reconstitution/solution preparation (literature guidance)

• Solvents: Dissolve in chlorobenzene, o-dichlorobenzene, or other suitable casting solvents. Start at 5–15 mg/mL; heat (60–120 °C) with stirring for full dissolution.
• Filtration: Warm-filter through 0.45 µm (or 0.2 µm) PTFE prior to coating to remove particulates.
• Stability of solutions: Use freshly prepared solutions when possible. If storage is necessary, keep sealed under N2 at room temperature or slightly elevated temperature for limited periods; inspect for gelation or precipitation before use.

Additional notes

• Avoid repeated heating/cooling cycles that may promote aggregation.
• Always refer to the product CoA/SDS for any lot-specific storage and handling constraints not listed here.

Structure and Identity

Item-specific (from Product Data)

• SKU: P1504872
• Product name: PDPP3T
• CAS: 1198291-01-8
• Storage conditions: Room temperature
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

General description (literature)

• PDPP3T is an alternating donor–acceptor conjugated polymer based on a diketopyrrolopyrrole (DPP) acceptor unit co-polymerized with a terthiophene (3T) donor segment. Side chains on the lactam nitrogens of DPP impart solubility (commonly branched alkyls in literature variants); exact side-chain identity for this item is not specified.
• Structural features: a repeat unit containing a DPP core (planar bis-lactam imide-like heterocycle) flanked by thiophenes, alternating with a regioregular terthiophene. The polymer backbone is highly planar, enabling strong π–π stacking.
• 2D structure in words: an alternating copolymer with sequences of three fused/linked thiophenes (donor) connected through C–C bonds to a bis-lactam DPP heterocycle (acceptor); repeating along the chain to form an extended π-conjugated system.
• Polymer identifiers (note): For macromolecules, single small-molecule SMILES/InChI are typically undefined; vendors and literature reference CAS and repeat-unit schematics instead.

Synthetic Utility

Limited applicability to chemical synthesis.

Context

• PDPP3T is an end-use semiconducting polymer, not a low-molecular-weight building block or reagent. It is typically the product of a cross-coupling step-growth polymerization (e.g., Stille or Suzuki) between a dibromo-DPP monomer and a terthiophene bis(stannane) or bis(boronate) in the presence of Pd catalysts (literature). As supplied, it is used for device fabrication rather than for further synthetic transformations.

Relevant considerations for materials chemists (literature)

• Post-processing doping: p-type doping (e.g., F4TCNQ, Magic Blue) can tune conductivity for sensors or contacts.
• Blending: Forms bulk heterojunctions with fullerene/non-fullerene acceptors; phase behavior is sensitive to solvent/additive choice and molecular weight.
• Crosslinking/compatibilization: Rare but possible via side-chain functional groups if present; exact functionality for this item is not specified.

If you require monomer-level chemistry

• Source or synthesize the DPP dibromo monomer and terthiophene coupling partner with defined side chains; control Mn/Đ via catalyst, temperature, and end-capping protocols. These details pertain to monomer synthesis, not to this catalog item.

Target Specificity

Not applicable.

Explanation

• This product is not an antibody, enzyme, inhibitor, or biological ligand. It does not have a molecular “target” in the biological sense. Its “specificity” pertains to optoelectronic function in thin-film devices.