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Anthra[2,1,9-mna]naphth[2,3-h]acridin-5,10,15(16H)-trion
C.I. 69500 · Vat Green 3 · C.I.VATGREEN3 · Olive Green B · Ahcovat Olive BL · Vat Olive Green B · Intravat Olive 2B · Cibanone Olive B-01
![Molekülstruktur von Anthra[2,1,9-mna]naphth[2,3-h]acridin-5,10,15(16H)-trion](/img/chemical/18641.png)
Identifikatoren & physikalische Daten
| CAS No. | 1328-45-6 |
|---|---|
| Summenformel | C31H15NO3 |
| Durchschnittliche Molmasse | 449,5 g/mol |
| Monoisotopische Masse | 449,10519334 g/mol |
| SMILES | O=c1c2ccccc2c(=O)c2c1ccc1c3ccc4c(O)c5ccccc5c5ccc(nc12)c3c45 |
| InChIKey | HHKPGQSPFVLKMV-UHFFFAOYSA-N |
| PubChem CID | 18641 |
| EC No. | 221-897-7 |
| DTXSID | DTXSID3062944 |
| Lokaler Name | Anthra[2,1,9-mna]naphth[2,3-h]acridin-5,10,15(16H)-trion |
Chemische & physikalische Eigenschaften
| XLogP | 7,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 902 |
| Siedepunkt | 557.88°C (rough estimate) |
| Dichte | 1.2566 (rough estimate) |
| Brechungsindex | 1.6310 (estimate) |
| pKa (Säurekonstante) | -2.68±0.20(Predicted) |
| Löslichkeit | 0.03ng/L at 20℃ |
| LogP (Verteilungskoeffizient) | 8.5 at 25℃ |
| CAS Datenbank | 3271-76-9(CAS DataBase Reference) |
| NIST chemische Informationen | c.i. Vat green 3(3271-76-9) |
| EPA chemische Informationen | Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione (3271-76-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 95.8% (23 of 24) of all reports.Not ClassifiedAggregated GHS information provided per 24 reports by companies from 2 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trioneREACH registered substance: Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione (EC: 221-897-7)Anthra2,1,9-mnanaphth2,3-hacridine-5,10,15(16H)-trione: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Not ClassifiedAquatic Chronic 3 (66.7%) |
| TSCA-Inventar-Status | TSCA listed |
Herstellung & Synthese
synthetische
in Sodium carbonate and Cupric oxide under the existence of, in the boiling of naphthalene, 3-Bromo-6aH-benzo[de]anthracen-7(8H)-one and 1-Aminoanthracene-9,10-dione condensation,Then isobutanol cyclization with potassium hydroxide.