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Perylen-3,4:9,10-tetracarbonsaeuredianhydrid
PTCDA · PERYLENE-3,4,9,10-TETRACARBOXYLIC DIANHYDRIDE · anthra[2,1,9-def:6,5,10-d'e'f']diisochromene-1,3,8,10-tetraone · PIGMENT RED 224 · Per acid · Perylene-3,4,9,10-tetracarboxylic acid dianhydride · 3,4,9,10-PERYLENETETRACARBOXYLIC 3,4,9,10-DIANHYDRIDE · PeryL
Identifikatoren & physikalische Daten
| CAS No. | 128-69-8 |
|---|---|
| Summenformel | C24H8O6 |
| Durchschnittliche Molmasse | 392,3 g/mol |
| Monoisotopische Masse | 392,03208797 g/mol |
| SMILES | O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O |
| InChIKey | CLYVDMAATCIVBF-UHFFFAOYSA-N |
| PubChem CID | 67191 |
| EC No. | 204-905-3 |
| DTXSID | DTXSID1059577 |
| Lokaler Name | Perylen-3,4:9,10-tetracarbonsaeuredianhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 730 |
| Physical Description | CBIDark red powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | >300 °C(lit.) |
| Siedepunkt | 477.07°C (rough estimate) |
| Dichte | 1.3306 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Flammpunkt | >400°C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.87g/linsoluble |
| Aggregatzustand | Powder |
| Farbe | Dark red |
| pH | 6-7 (1g/l, H2O, 20℃) |
| BRN | 57831 |
| 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 |
| InChIKey | CLYVDMAATCIVBF-UHFFFAOYSA-N |
| SMILES | O1C(=O)c2c3c4c(c5c6c(c4cc2)ccc7c6c(cc5)C(=O)OC7=O)ccc3C1=O |
| CAS Datenbank | 128-69-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3,4,9,10-Perylenetetracarboxylic dianhydride(128-69-8) |
| EPA chemische Informationen | Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone (128-69-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 74.1% (160 of 216) of all reports.WarningH315 (24.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (24.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (23.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 216 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 160 of 216 reports by companies.There are 6 notifications provided by 56 of 216 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetronePerylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11837Status: Active Update: 25-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12592Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See ACID ANHYDRIDES. See Perylene. |
| Hazard Classes and Categories | Skin Irrit. 2 (24.1%)Eye Irrit. 2 (24.1%)STOT SE 3 (23.6%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29173980 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 orally in Rabbit: > 10000 mg/kg |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,4,9,10-Perylenetetracarboxylic dianhydride is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It is mainly used in air dried and baking enamels, epoxy, polyurethane and polyester based paints. It is also used in printing inks for bank and security documents.