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7,16-Dichlor-6,15-dihydroanthrazin-5,9,14,18-tetron
AO204 · Blue K · Blue BC · Nsc74700 · D&C Blue 9 · Aids031737 · Vat Blue 6 · Vat Blue K
Identifikatoren & physikalische Daten
| CAS No. | 130-20-1 |
|---|---|
| Summenformel | C28H12Cl2N2O4 |
| Durchschnittliche Molmasse | 511,3 g/mol |
| Monoisotopische Masse | 510,01741222 g/mol |
| SMILES | O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 |
| InChIKey | UGCDBQWJXSAYIL-UHFFFAOYSA-N |
| PubChem CID | 8532 |
| ChEMBL | CHEMBL2001164 |
| EC No. | 204-980-2 |
| DTXSID | DTXSID9044532 |
| Lokaler Name | 7,16-Dichlor-6,15-dihydroanthrazin-5,9,14,18-tetron |
Chemische & physikalische Eigenschaften
| XLogP | 6,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 92,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 926 |
| Stoffklassen | Dyes -> Anthraquinone Dyes |
| Kosmetika | Cosmetic colorant |
| Lebensmittelzusatzstoffe | Drugs, Devices -> FDA Regulatory Status of Color AdditivesDevices -> FDA Regulatory Status of Color Additives |
| Löslichkeit | ANTHRAQUINONES EXTREMELY INSOL IN WATER & INSOL IN COMMON SOLVENTS /PIGMENTS/ |
| Physical Description | Dry PowderSolid[MSDSonline] |
| Siedepunkt | 788.5±60.0 °C(Predicted) |
| Dichte | 1.4366 (rough estimate) |
| Brechungsindex | 1.7460 (estimate) |
| Lagerbedingungen | 2-8°C(protect from light) |
| pKa (Säurekonstante) | -4.66±0.20(Predicted) |
| Kosmetik-Inhaltsstoffe Funktionen | COLORANT |
| LogP (Verteilungskoeffizient) | 9 at 20℃ |
| CAS Datenbank | 130-20-1 |
| NIST chemische Informationen | c.i. Vat blue 6(130-20-1) |
| EPA chemische Informationen | C.I. Vat Blue 6 (130-20-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (34 of 34) of all reports.Not ClassifiedAggregated GHS information provided per 34 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro- 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)REACH registered substance: 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone (EC: 204-980-2)5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-: 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. |
| Gefahrenübersicht | Anthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and comaDeaths have been reported after children ingested Rhamnus berries[HSDB] May cause irritation[MSDSonline] |
| Hazard Classes and Categories | Not Classified |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| TSCA-Inventar-Status | TSCA listed |
| Gefahrstoffdaten | 130-20-1(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
C.I.Var Blue 6 (CAS# 130-20-1) is a vat dye used for cotton fabrics dyeing. Materials dyed with C.I.Var Blue 6 have enhanced adsorption of metals and nanoparticles, useful for the preparation of materials for wastewater cleanup.