BT-IDT-nC6 , CAS No.1420071-65-3

CAS: 1420071-65-3 Cat. No.: B1503610 Numero EC: 890-449-6

Storage

Room temperature

Specifiche

Condizioni di conservazione di stoccaggio

Room temperature

Application Protocols

• Item-specific validated protocols: Not specified for this item; refer to CoA/Spec Sheet.
• General device-fabrication workflows (for BT–IDT-type small-molecule semiconductors; adapt as needed):
  • OPV example (spin-coating):
    • Prepare donor solution (e.g., BT–IDT-type) and acceptor solution separately, combine to desired mass ratio, total solids 10–25 mg/mL in CB or o-DCB. Heat to dissolve, then filter.
    • Clean ITO substrates; deposit PEDOT:PSS; bake. Spin-coat active blend in inert atmosphere. Post-anneal as optimized.
    • Deposit interlayers/electrodes (e.g., Ca/Al or MoOx/Ag) by thermal evaporation. Encapsulate.
  • OFET example (bottom-gate, bottom-contact):
    • Treat Si/SiO2 with HMDS or OTS SAM. Prepare 5–10 mg/mL semiconductor solution, filter, spin-coat or dip-coat.
    • Optional anneal to improve crystallinity. Evaporate top contacts if using BGTC architecture.
• Quality control: Include film filtration, thickness measurement (profilometry/ellipsometry), and device statistics across multiple substrates to ensure reproducibility.

Biological Roles

• Not typically applicable to this product category.
• Explanation (general): BT–IDT-nC6 is sold under Materials Science and is representative of synthetic donor–acceptor organic semiconductors used in electronic/optoelectronic devices. Such molecules are not biological metabolites or ligands and have no recognized physiological roles. Any interactions with biological systems would be outside intended research scope and are not characterized here.

Buffer Applications

• Not applicable. BT–IDT-nC6 is an organic semiconductor for thin-film electronics and is not used to prepare aqueous buffers or biochemistry buffers.
• For laboratory handling, focus on suitable organic solvents for solution processing (see Solvent Selection) rather than buffer systems.

Green Alternatives

• Context: Many traditional processing solvents for conjugated small molecules (e.g., chloroform, chlorobenzene, o-DCB) pose environmental and health concerns.
• Greener solvent strategies (literature/general; evaluate experimentally for this SKU):
  • Replace chlorinated solvents with aromatic ethers or esters where solubility allows: anisole, 2-methyltetrahydrofuran (2-MeTHF), cyclohexanone, or dimethyl isosorbide (DMI).
  • Use high–flash point solvents to reduce VOC emissions and fire risk; implement solvent blends to reproduce desired drying kinetics.
• Typical tradeoffs:
  • Solubility may decrease in greener media; higher temperatures or co-solvent systems can compensate.
  • Film morphology can shift due to different evaporation rates and Hansen parameters, requiring re-optimization of concentration and spin/anneal conditions.
• Comparison snapshot (generalized):
  • Chlorobenzene: strong solubility, moderate toxicity; boiling point ~132 °C; widely used baseline.
  • Anisole: greener profile, similar bp (~154 °C); may require elevated solution temperature to dissolve high-MW/conjugated solids.
  • 2-MeTHF: bio-based, low viscosity; faster evaporation may necessitate additives or lower spin speeds to avoid overly fine phase separation.
• Recommendation: Begin with small-scale solubility screens (room temp and 60–80 °C) and benchmark device metrics vs. standard chlorinated solvent recipes.

Pharmaceutical Uses

• Not applicable as a therapeutic agent.
• General note: Conjugated small-molecule semiconductors like BT–IDT-nC6 are specialty materials for research in organic electronics (OPV, OFET, photodetectors). They are not pharmaceutical excipients or active ingredients. No pharmacopeial status is implied. Use is restricted to research and development in materials science.

Physical Properties

• Item-specific (Product Data):
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Density, melting point, boiling point, refractive index, pKa, logP, solubility: Not specified for this item; refer to CoA/Spec Sheet.
• Literature/general values for BT–IDT-type small-molecule semiconductors (guidance only; not specifications for this SKU):
  • Physical state: typically crystalline solids with strong color (orange–purple) due to extended conjugation.
  • Thermal behavior: many IDT–BT derivatives exhibit high thermal stability (onset decomposition often >300 °C by TGA) and polymorphism with melting transitions that depend on side-chain architecture.
  • Solubility: designed for solution processing; commonly soluble in medium–high boiling organic solvents such as chlorobenzene, o-dichlorobenzene, toluene, chloroform; limited solubility in alcohols and water.
  • Optoelectronic: donor–acceptor architecture typically yields optical bandgaps circa 1.6–2.0 eV and HOMO levels around −5.3 to −5.6 eV (CV, literature). Exact values depend sensitively on substitution pattern and film morphology.
• Practical note: Because film morphology and polymorphs strongly influence device performance, users often report processing-dependent properties (absorption maxima shifts, crystallinity) rather than single fixed numbers. Verify item-specific properties on the CoA and by in-house DSC/TGA/UV–Vis as needed.

Quality and Grades

• Item-specific (Product Data):
  • Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Interpreting grades for small-molecule electronic materials (general guidance):
  • “Electronic grade” or “OPV/OFET grade” often implies additional purification (e.g., gradient sublimation or repeated column chromatography) to reduce trap-forming impurities (polar residues, metal ions, halides) that affect charge transport.
  • Low residual solvent and controlled polymorphic content can be critical for reproducible device performance; reputable suppliers include HPLC purity, TGA residual mass, and sometimes UPS/CV data.
  • Stabilizers: Typically not used for these solids; if present, stabilizers or antioxidant traces would be listed on the CoA as they can influence film formation and electronic levels.
• Recommended verification steps on receipt (best practice):
  • Inspect CoA for assay, residual metals/halogens (if provided), and thermal data (DSC/TGA).
  • Run a quick analytical suite if performance is critical: HPLC or GPC for purity, elemental analysis for S/N content where relevant, and film UV–Vis to confirm the expected absorption profile for your process.

Reaction and Applications

• Item-specific (Product Data): Manufacturer Applications: Not specified for this item; refer to CoA/Spec Sheet.
• Literature/general applications for BT–IDT-family small-molecule semiconductors:
  • Organic photovoltaics (OPV): Donor materials in bulk-heterojunction solar cells, blended with nonfullerene acceptors (NFAs) or fullerene derivatives. The donor–acceptor backbone tunes absorption and energy levels for efficient charge separation.
  • Organic field-effect transistors (OFET): p-type semiconductors with high hole mobilities when properly crystallized and aligned; side-chain engineering (e.g., n-hexyl) modulates π–π stacking distance and film lamellar order.
  • Photodetectors and NIR-sensitive films: D–A conjugation supports extended absorption into the red/NIR, enabling low-light detection and imaging components.
  • Additives/interlayers: In some perovskite and organic diode stacks, such molecules are explored as interfacial modifiers to reduce trap density or improve wetting.
• Practical processing notes (general):
  • Pre-anneal substrates, control humidity, and use inert atmosphere during solution processing to minimize oxidative defects.
  • Thermal/solvent vapor annealing can enhance crystallinity and domain purity; optimization is device-architecture specific.
  • For OPV, optimize donor:acceptor mass ratio, total solids, and spin protocol to balance phase separation and percolation.

Reaction Conditions

• Not a reagent in classical synthetic chemistry; instead, consider film-processing conditions (literature/general guidance for BT–IDT-type materials; not specifications for this SKU):
  • Solution preparation: 5–20 mg/mL in CB, o-DCB, toluene, or CF; gentle heating (40–80 °C) and overnight stirring can aid dissolution. Filter through 0.2 µm PTFE before coating.
  • Coating: spin-coating 500–3000 rpm, 30–60 s; blade/slot-die coating with controlled substrate temperature (25–80 °C) for scalable deposition.
  • Thermal treatment: post-deposition anneal 80–200 °C for 5–30 min to improve crystallinity (optimize for substrate tolerance and morphology).
  • Atmosphere: inert processing (N2 glovebox) recommended to limit oxidative/photooxidative degradation during film formation.
  • Additives: 0.1–3% v/v high-boiling additives (e.g., DIO in OPV research) can be screened to tune phase separation when blending with acceptors.
• Characterization checkpoints:
  • UV–Vis and GIWAXS to assess aggregation and packing; AFM for surface morphology; device-level JV or transfer curves to validate performance.
• Important: Actual conditions depend on exact molecular structure and the device stack; optimize empirically and consult the item-specific CoA for any provided guidance.

Safety and Handling

• Item-specific (Product Data):
  • GHS classification, signal word, hazard statements, pictograms: Not specified for this item; refer to SDS.
  • Storage conditions: Room temperature (Product Data). Protect from moisture and excessive light.
• General handling guidance for organic semiconductor solids (literature/practice; not item-specific):
  • Avoid dust generation; handle powders in a fume hood. Use appropriate PPE: lab coat, safety glasses, disposable nitrile gloves.
  • Incompatibilities: strong oxidizers and strong acids/bases may degrade conjugated backbones; avoid prolonged UV exposure that can promote photooxidation in air.
  • Hygiene measures: wash hands after handling; avoid inhalation/ingestion. Do not pipette by mouth.
  • First aid (overview; defer to SDS):
    • Inhalation: move to fresh air; seek medical attention if symptoms persist.
    • Skin/eye contact: rinse with water for several minutes; remove contaminated clothing; seek medical advice if irritation develops.
    • Ingestion: rinse mouth; do not induce vomiting; seek medical attention.
  • Fire safety: many organic conjugated molecules are combustible. Use CO2, dry chemical, or foam. Thermal decomposition may release irritant fumes.
• Waste: Collect solids/contaminated materials as organic waste according to institutional and local regulations. Consult the SDS for definitive controls.

Solvent Selection

• Item-specific (Product Data): No solvent recommendations are specified for this item; refer to CoA/Spec Sheet.
• Literature/general processing guidance for BT–IDT-type semiconductors:
  • Polarity and miscibility: These hydrophobic conjugated molecules dissolve in nonpolar to moderately polar organic solvents. Water immiscible.
  • Common casting solvents (film formation):
    • Chlorobenzene (CB), o-dichlorobenzene (o-DCB), toluene, chloroform (CF) — chosen for solubility and evaporation rate control.
    • High-boiling options (e.g., o-DCB) favor slower drying and larger crystalline domains; lower-boiling (CF) enables rapid spin-coating but may yield finer morphology.
  • Additives: Small fractions (0.1–3% v/v) of high-boiling additives (e.g., 1,8-diiodooctane in OPV literature) can tune nanoscale morphology with acceptor blends. Selection is system-specific.
  • Orthogonal solvents for multilayer stacks: Alcohols and acetonitrile are typically orthogonal (non-solvents) for these films and can be used to deposit subsequent layers without redissolving the active layer.
• Practical tips:
  • Filter solutions (0.2 µm PTFE) prior to coating to remove particulates.
  • Adjust concentration/temperature to manage viscosity and solubility; gentle heating (40–80 °C) often improves dissolution.
  • Verify compatibility with substrates and underlayers (e.g., PEDOT:PSS, SAM-treated oxides).

Storage and Reconstitution

• Item-specific (Product Data):
  • Storage Conditions: Room temperature.
  • Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
• General handling/storage recommendations for conjugated small-molecule semiconductors:
  • Keep tightly closed in an inert atmosphere (nitrogen or argon) with desiccant. Store in the dark to minimize photooxidation and isomerization.
  • If supplied as a powder, minimize headspace oxygen and humidity after each use; consider aliquoting for glovebox work.
  • For solution stocks, prepare in dry, oxygen-free solvent; store in amber vials at room temperature or 2–8 °C depending on solvent stability, and use within days to weeks.
  • Avoid repeated heating/cooling cycles that can promote aggregation or degradation; gently warm only as needed for dissolution.
• Reconstitution (if applicable):
  • Dissolve the required mass in a compatible organic solvent (see Solvent Selection). Start at 5–10 mg/mL, heat gently (40–60 °C) with stirring until fully dissolved, then filter (0.2 µm PTFE) prior to thin-film deposition.
• Compliance: For research use only (Product Data). Always consult the SDS and CoA for item-specific guidance.

Structure and Identity

• Item-specific (Product Data)
  • CAS: 1420071-65-3
  • 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.
  • Product name: BT-IDT-nC6 (SKU: B1503610)
• Literature/general context (for the BT–IDT materials family; exact structure of this SKU not provided):
  • The shorthand “BT-IDT-nC6” is commonly used in organic electronics for small-molecule semiconductors featuring a donor–acceptor architecture that combines an indacenodithiophene (IDT) donor core with a benzothiadiazole (BT) acceptor unit and n-hexyl (–nC6) solubilizing side chains.
  • Structural features typically include fused polycyclic thiophene frameworks (electron-rich) coupled to diazole-type acceptors (electron-poor), yielding an intramolecular push–pull system with narrowed optical bandgap and strong visible–NIR absorption.
  • 2D depiction (generalized): a planar, fused IDT backbone flanked by thiophenes, conjugated through a benzothiadiazole unit; alkyl chains pendant from sp3 bridgeheads or thiophene α-positions to confer solution processability.
• Important note: The exact regiochemistry, substituent pattern, and isomerism for Aladdin’s BT-IDT-nC6 are not specified here; consult the CoA/Spec Sheet for definitive identity data.

Synthetic Utility

• Primary role: finished functional material rather than a synthetic reagent.
• General guidance: While donor–acceptor conjugated molecules can, in principle, be further derivatized (e.g., end-group functionalization, side-chain exchange), BT–IDT-nC6 is typically procured as a final-performance molecule for device fabrication, not as a building block in multistep organic synthesis.
• If derivatization is intended, confirm functional handles and regiochemistry on the item’s CoA/structure, and consider stability of the conjugated core under electrophilic/nucleophilic conditions. Absent item-specific structural data, no reaction recommendations are made here.

Target Specificity

• Not applicable. This product is not a biological ligand, antibody, or inhibitor and has no defined biomolecular target specificity.

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1420071-65-3.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.