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3,4,5,6-Tetrachlor-2-(1,4,5,8-tetrabrom-6-hydroxy-3-oxoxanthen-9-yl)benzoesure
CI 45410 · PHLOXINE B · PHLOXINE · RED 28 · CI 45405 · PHLOXIN B · AKA231 · d&cred
Identifikatoren & physikalische Daten
| CAS No. | 18472-87-2 |
|---|---|
| Summenformel | C20H2Br4Cl4Na2O5 |
| Durchschnittliche Molmasse | 829,6 g/mol |
| Monoisotopische Masse | 823,51852 g/mol |
| SMILES | O=C1OC2(c3cc(Br)c([O-])c(Br)c3Oc3c2cc(Br)c([O-])c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.[Na+].[Na+] |
| InChIKey | OOYIOIOOWUGAHD-UHFFFAOYSA-L |
| PubChem CID | 6433718 |
| DTXSID | DTXSID1031090 |
| Lokaler Name | 3,4,5,6-Tetrachlor-2-(1,4,5,8-tetrabrom-6-hydroxy-3-oxoxanthen-9-yl)benzoesure |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 81,7 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 780 |
| Physical Description | LiquidWet SolidOther SolidBrick red to brown solid[Merck Index] Dark red powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | >250°C |
| Dichte | 0.871[at 20℃] |
| Dampfdruck | 0Pa at 25℃ |
| Lagerbedingungen | Store at RT. |
| Löslichkeit | 100g/lwater: 1mg/mL, clear, red |
| Aggregatzustand | Powder/Solid |
| Farbe | Red Brown |
| pH | 9.7 (1g/l, H2O, 20℃) |
| BRN | 3887100 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | Optical waveguides, color filter, lithographic printing plates, display device, visualization of dentaldevice, inks, highlighters, textiles, hair dyes, cosmetics, visualization of dentalplaque, treatment of infectitious diseases, antitumor agents |
| Kosmetik-Inhaltsstoffe Funktionen | COLORANTHAIR DYEING |
| InChI | 1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26/h1-2,29-30H/q2*+1/p-2 |
| InChIKey | OOYIOIOOWUGAHD-UHFFFAOYSA-L |
| SMILES | [Na+].[Na+].[O-]c1c(Br)cc2c(Oc3c(Br)c([O-])c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br |
| LogP (Verteilungskoeffizient) | 0.165 at 25℃ |
| CAS Datenbank | 18472-87-2(CAS DataBase Reference) |
| EPA chemische Informationen | Phloxine B (18472-87-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7.3% (17 of 234) of reports.WarningH319 (56.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H373 (31.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H412 (38%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P264+P265, P273, P280, P305+P351+P338, P319, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 234 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 17 of 234 reports by companies.There are 8 notifications provided by 217 of 234 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: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, disodium saltSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2) 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: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17402Acid Red 92: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes no skin and mild to moderate eye irritation in rabbitsNot a skin sensitizer in a local lymph node assay (LLNA) of miceMild maternal toxicity but no embryotoxicity or teratogenicity observed in rats at 250 mg/kg/day |
Anwendungen & Verwendung
Verwenden
Phloxine B acts as the sensitizers of dye-sensitized solar cells. Also, it is a fluorescein photoactive dye. Dyes and metabolites, Environmental Testing.
Herstellung & Synthese
synthetische
the Resorcinol and 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione condensation, get 3,4,5,6-Tetrachlorophthalic acid four bromination, and translated into sodium salt.