Cas no 128-69-8 (3,4,9,10-Perylenetetracarboxylic dianhydride)

3,4,9,10-Perylenetetracarboxylic dianhydride (PTCDA) is a high-purity organic semiconductor material with a planar, conjugated structure, making it highly suitable for optoelectronic applications. Its key advantages include excellent thermal and chemical stability, strong light absorption in the visible spectrum, and efficient charge-carrier mobility. PTCDA is widely used in organic light-emitting diodes (OLEDs), photovoltaic devices, and thin-film transistors due to its ability to form well-ordered molecular films. Additionally, its robust electron-accepting properties make it valuable as a dye intermediate or n-type semiconductor in advanced material research. The compound's consistent performance and reliability underscore its importance in both academic and industrial settings.
3,4,9,10-Perylenetetracarboxylic dianhydride structure
128-69-8 structure
Product Name:3,4,9,10-Perylenetetracarboxylic dianhydride
CAS No:128-69-8
MF:C24H8O6
MW:392.32
MDL:MFCD00006916
CID:36216
PubChem ID:67191
Update Time:2025-11-02

3,4,9,10-Perylenetetracarboxylic dianhydride Chemical and Physical Properties

Names and Identifiers

    • 3,4,9,10-Perylenetetracarboxylic dianhydride
    • PERYLENETETRACARBOXYLIC ACID(-3,4,9,10)-DIANHYDRIDE
    • 3,4,9,10-Perylenetetracarboxylic Dianhydride (purified by sublimation)
    • Perylene-3,4,9,10-tetracarboxylic dianhydride
    • 3,4,9,10-perylene dianhydride
    • 3,4,9,10-Perylenetet
    • C.I.Pigment Red 224
    • LT-S920
    • Per acid
    • perylene-3,4,9,10-tetracarboxylic acid dianhydride
    • perylene-3,4:9,10-tetracarboxylic dianhydride
    • Perylenetetracarboxydianhydride
    • PIGMENT RED 224
    • Pigment Red 224,PTCDA
    • PTCDA
    • Red R-6418
    • Pigment Red 224 (purified by sublimation)
    • C.I.71127
    • Red R-6418
    • Pigment Red 224, PTCDA
    • MDL: MFCD00006916
    • Inchi: 1S/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H
    • InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N
    • SMILES: C1(=O)C2C3=C4C(C5C6=C7C(=CC=C6C4=CC=2)C(=O)OC(C7=CC=5)=O)=CC=C3C(=O)O1
    • BRN: 57831

Computed Properties

  • Exact Mass: 392.03200
  • Monoisotopic Mass: 392.032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 0
  • Complexity: 730
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.5
  • Topological Polar Surface Area: 86.7A^2

Experimental Properties

  • Color/Form: Red flashing solid. Brownish red powder.
  • Density: 1.3306 (rough estimate)
  • Melting Point: >300?°C (lit.)
  • Boiling Point: 755.8±33.0°C at 760 mmHg
  • Flash Point: 329.9 °C
  • Refractive Index: 1.5200 (estimate)
  • PH: 6-7 (1g/l, H2O, 20℃)
  • Solubility: 0.87g/l
  • Water Partition Coefficient: Insoluble
  • PSA: 86.74000
  • LogP: 4.35840
  • Color index: 71127
  • λmax: 470(lit.)
  • Sensitiveness: Moisture Sensitive
  • Solubility: Soluble in alkali solution.

3,4,9,10-Perylenetetracarboxylic dianhydride Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • FLUKA BRAND F CODES:10-21
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S36
  • Risk Phrases:R36/37/38
  • TSCA:Yes
  • Storage Condition:Inert atmosphere,Room Temperature

3,4,9,10-Perylenetetracarboxylic dianhydride Customs Data

  • HS CODE:29173980
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3,4,9,10-Perylenetetracarboxylic dianhydride Pricemore >>

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3,4,9,10-Perylenetetracarboxylic dianhydride Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:128-69-8)3,4,9,10-四羧酸酐
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Purity:99%
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Suzhou Senfeida Chemical Co., Ltd
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(CAS:128-69-8)3,4,9,10-Perylenetetracarboxylic dianhydride
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Amadis Chemical Company Limited
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(CAS:128-69-8)3,4,9,10-Perylenetetracarboxylic dianhydride
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Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:26
Price ($):256.0

3,4,9,10-Perylenetetracarboxylic dianhydride Related Literature

Additional information on 3,4,9,10-Perylenetetracarboxylic dianhydride

3,4,9,10-Perylenetetracarboxylic Dianhydride (CAS No. 128-69-8): A Versatile Organic Semiconductor and Functional Material

3,4,9,10-Perylenetetracarboxylic dianhydride (often abbreviated as PTCDA, CAS No. 128-69-8) is a highly significant organic compound in the field of advanced materials science. This perylene-based derivative has gained substantial attention due to its unique photophysical properties, excellent thermal stability, and wide-ranging applications in organic electronics, optoelectronic devices, and functional coatings. The compound's rigid planar structure and extended π-conjugation system make it particularly valuable for researchers working on next-generation materials.

The molecular structure of PTCDA features a perylene core with four carboxylic anhydride groups, which contribute to its remarkable electronic properties. This configuration allows for strong intermolecular interactions, leading to high charge carrier mobility - a critical factor in organic semiconductor applications. Recent studies in AI-assisted material discovery have highlighted PTCDA as a promising candidate for machine learning-driven material design, particularly in the development of flexible electronics and wearable sensors.

In the realm of organic photovoltaics, 3,4,9,10-perylenetetracarboxylic dianhydride has shown exceptional performance as an electron acceptor material. Its ability to form well-ordered thin films through various deposition techniques makes it ideal for solar cell applications. Researchers investigating sustainable energy solutions frequently explore PTCDA-based systems due to their potential for creating more efficient and environmentally friendly photovoltaic devices. The compound's absorption spectrum, spanning the visible to near-infrared region, aligns perfectly with current trends in broadband light harvesting materials.

The applications of PTCDA (CAS 128-69-8) extend beyond energy conversion to include organic light-emitting diodes (OLEDs) and field-effect transistors (OFETs). Its high photoluminescence quantum yield and excellent electron-transport properties have made it a subject of intense study in display technology development. With the growing demand for flexible displays and foldable electronics, PTCDA's mechanical stability under bending conditions has become particularly relevant to current industry needs.

From a synthetic chemistry perspective, 3,4,9,10-perylenetetracarboxylic dianhydride serves as a crucial building block for numerous functional dyes and advanced pigments. Its derivatives find applications in high-performance coatings where exceptional lightfastness and chemical resistance are required. The compound's versatility in chemical modification has led to its use in developing molecular sensors for environmental monitoring, addressing growing concerns about pollution detection and water quality analysis.

The thermal stability of PTCDA (decomposition temperature >400°C) makes it suitable for high-temperature processing, a feature highly valued in printed electronics manufacturing. Recent advancements in inkjet printing of organic semiconductors have utilized PTCDA-based formulations to create patterned electronic components. This aligns with the current industry push toward additive manufacturing and roll-to-roll processing of electronic devices.

In the context of emerging technologies, 3,4,9,10-perylenetetracarboxylic dianhydride has shown promise in quantum computing research as a potential platform for molecular qubits. Its well-defined electronic states and long spin coherence times have attracted attention from researchers working on room-temperature quantum systems. This application represents one of the most cutting-edge uses of PTCDA and reflects the compound's continuing relevance in advanced research areas.

The commercial availability of PTCDA (CAS 128-69-8) has improved significantly in recent years, driven by growing demand from both academic and industrial sectors. Suppliers now offer various purity grades suitable for different applications, from research-grade materials to electronic-grade compounds. Quality control parameters typically focus on sublimation purity, metal impurity levels, and batch-to-batch consistency - all critical factors for performance-sensitive applications.

Environmental and safety considerations for 3,4,9,10-perylenetetracarboxylic dianhydride handling are generally favorable compared to many other high-performance organic materials. The compound exhibits low volatility and minimal environmental mobility due to its low water solubility. However, standard precautions for handling fine powders should be observed during laboratory work or industrial processing. These characteristics contribute to PTCDA's appeal as a sustainable material choice in various applications.

Looking toward future developments, researchers are exploring novel derivatives of PTCDA with tailored properties for specific applications. The combination of computational chemistry approaches with experimental synthesis has accelerated the discovery of optimized materials based on the perylene tetracarboxylic dianhydride core. This direction aligns well with current trends in materials informatics and high-throughput screening of organic semiconductors.

The scientific literature surrounding 3,4,9,10-perylenetetracarboxylic dianhydride (CAS 128-69-8) continues to expand, with hundreds of new publications appearing annually. Recent focus areas include its use in bioelectronic interfaces, neuromorphic computing devices, and as a component in hybrid perovskite systems. These diverse applications underscore the compound's fundamental importance in modern materials science and its potential to contribute to multiple technological breakthroughs in the coming years.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:128-69-8)3,4,9,10-四羧酸酐
LE1695963
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:128-69-8)3,4,9,10-Perylenetetracarboxylic dianhydride
sfd4866
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email