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6'-(Diethylamino)-1',3'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-on
MR3 · ORANGEDCF · R-201(D-5) · Einecs 244-667-8 · 1,3-Dimethyl-6-diethylaminofluoran · 6'-(DIETHYLAMINO)-1',3'-DIMETHYLFLUORAN · 1,3-Dimethyl-6-diethylaminofluoranthene · 3’-(diethylamino)-6’,8’-dimethyl-Fluoran
![Molekülstruktur von 6'-(Diethylamino)-1',3'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-on](/img/chemical/89556.png)
Identifikatoren & physikalische Daten
| CAS No. | 21934-68-9 |
|---|---|
| Summenformel | C26H25NO3 |
| Durchschnittliche Molmasse | 399,5 g/mol |
| Monoisotopische Masse | 399,18344366 g/mol |
| SMILES | CCN(CC)c1ccc2c(c1)Oc1cc(C)cc(C)c1C21OC(=O)c2ccccc21 |
| InChIKey | XUFBVJQHCCCPNM-UHFFFAOYSA-N |
| PubChem CID | 89556 |
| EC No. | 244-667-8 |
| DTXSID | DTXSID70885184 |
| Lokaler Name | 6'-(Diethylamino)-1',3'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-on |
Chemische & physikalische Eigenschaften
| XLogP | 5,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 648 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 170 °C |
| Siedepunkt | 592.3±50.0 °C(Predicted) |
| Dichte | 1.26±0.1 g/cm3(Predicted) |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 5.14±0.20(Predicted) |
| Farbe | White to Almost white |
| InChI | 1S/C26H25NO3/c1-5-27(6-2)18-11-12-21-22(15-18)29-23-14-16(3)13-17(4)24(23)26(21)20-10-8-7-9-19(20)25(28)30-26/h7-15H,5-6H2,1-4H3 |
| InChIKey | XUFBVJQHCCCPNM-UHFFFAOYSA-N |
| SMILES | N(CC)(CC)c1cc2c(cc1)C4(OC(=O)c5c4cccc5)c3c(cc(cc3C)C)O2 |
| CAS Datenbank | 21934-68-9 |
| EPA chemische Informationen | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-1',3'-dimethyl- (21934-68-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (12 of 12) of all reports.Not ClassifiedAggregated GHS information provided per 12 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-1',3'-dimethyl- |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2932.99.7000 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
6'-(Diethylamino)-1',3'-dimethylfluoran is a versatile compound widely recognized for its applications in fluorescence and dye chemistry. This compound, also known as a Fluorescein derivative, exhibits strong fluorescent properties, making it an excellent choice for use in various analytical and diagnostic applications.