Perylene-3,4,9,10-tetracarboxylic dianhydride(PTCDA) - ≥98% , CAS No.128-69-8

CAS: 128-69-8 Cat. No.: P121510 Molecular Weight: 392.32 Beilstein Registry Number: 57831 EC Number: 204-905-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
NSC 79895 | Irgazin Red BPT | Perylo(3,4-cd:9,10-c'd')dipyran-1,3,8,10-tetrone | Perylene-3,9,10-tetracarboxylic 3,4:9,10-dianhydride | GS-6719 | AC-10824 | Perylene-3,4:9,10-tetracarboxylic dianhydride | isochromeno[4',5',6':6,5,10]anthra[2,1,9-def]isoch
Storage
Argon charged,Room temperature
Shipped In
Normal
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P121510-10g
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100g
P121510-100g
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250g
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500g
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 132 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) is a perylene derivative which forms highly crystalline films and dyes that can be used for a majority of electronic and opto-electronic applications. It provides a high electron mobility due to its low intermolecular distance which results in π-π conjugation.
An n-channel organic semiconductor.

Polycondensation of PTCDA with polypropylene glycol (PPG) based diamine can be utilized for the development of perlyene diimides which have a potential use as n-type semiconductors in organic photovoltaics. PTCDA can be used as a light absorbing monomer for the fabrication of bichromophobic light harvesting antenna systems. It can also be used to prepare 3, 4, 9, 10-perylene tetracarboxylic acid-aromatic fluorophores dye for a highly reversible fluorescence switching on different substrates.

Specifications

Synonyms
NSC 79895 | Irgazin Red BPT | Perylo(3, 4-cd:9, 10-c'd')dipyran-1, 3, 8, 10-tetrone | Perylene-3, 9, 10-tetracarboxylic 3, 4:9, 10-dianhydride | GS-6719 | AC-10824 | Perylene-3, 4:9, 10-tetracarboxylic dianhydride | isochromeno[4', 5', 6':6, 5, 10]anthra[2, 1, 9-def]isoch
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)OC2=O
IUPAC Name7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
InChIKeyCLYVDMAATCIVBF-UHFFFAOYSA-N
INCHI1S/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
Isomeric SMILES C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)OC2=O
WGK Germany 3
Molecular Weight 392.32
Beilstein 57831
Reaxy-Rn 57831
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57831&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassNaphthopyrans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthopyrans
Alternative Parents Phenanthrenes and derivatives  Anthracenes  Isocoumarins and derivatives  2-benzopyrans  Pyranones and derivatives  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Anthracene - Naphthopyran - Phenanthrene - Isocoumarin - Benzopyran - 2-benzopyran - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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25 results found

Lot NumberCertificate TypeDateItem
C2202167Certificate of AnalysisDec 12, 2025 P121510
F2608637Certificate of AnalysisFeb 11, 2025 P121510
A2607034Certificate of AnalysisFeb 11, 2025 P121510
C2510285Certificate of AnalysisFeb 11, 2025 P121510
C2510284Certificate of AnalysisFeb 11, 2025 P121510
C2510281Certificate of AnalysisFeb 11, 2025 P121510
C2510282Certificate of AnalysisFeb 11, 2025 P121510
C2510283Certificate of AnalysisFeb 11, 2025 P121510
G2418135Certificate of AnalysisApr 29, 2024 P121510
G2418133Certificate of AnalysisApr 29, 2024 P121510
K2429094Certificate of AnalysisApr 29, 2024 P121510
I2226083Certificate of AnalysisAug 18, 2022 P121510
I2226084Certificate of AnalysisAug 18, 2022 P121510
I2226085Certificate of AnalysisAug 18, 2022 P121510
K2328070Certificate of AnalysisAug 18, 2022 P121510
I2226082Certificate of AnalysisAug 18, 2022 P121510
E23291206Certificate of AnalysisAug 18, 2022 P121510
I2226081Certificate of AnalysisAug 18, 2022 P121510
G2417053Certificate of AnalysisAug 18, 2022 P121510
B2506037Certificate of AnalysisAug 18, 2022 P121510
C2202171Certificate of AnalysisJan 03, 2022 P121510
C2202164Certificate of AnalysisJan 03, 2022 P121510
C2202163Certificate of AnalysisJan 03, 2022 P121510
K2217207Certificate of AnalysisJan 03, 2022 P121510
C2202162Certificate of AnalysisJan 03, 2022 P121510

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Chemical and Physical Properties
SolubilitySoluble in water (0.87g/L at 20°C).
SensitivityMoisture Sensitive
Melt Point(°C)>300°C
Molecular Weight392.300 g/mol
XLogP34.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass392.032 Da
Monoisotopic Mass392.032 Da
Topological Polar Surface Area86.700 Ų
Heavy Atom Count30
Formal Charge0
Complexity730.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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