Vat Orange 16
C.I.69540 · Vat Orange G · Vat Orange 16 · C.I.Vat Orange 16 · Indanthren Orange F3R. · C.I.Vat Orange 16:C.I.69540 · Vat Orange 16 ISO 9001：2015 REACH · 6H-dinaphth[2,3-a,2',3'-h]acridine-5,9,14,15,18-pentaone
Identifikatoren & physikalische Daten
| CAS No. | 10142-57-1 |
|---|---|
| Summenformel | C29H13NO5 |
| Durchschnittliche Molmasse | 455,4 g/mol |
| Monoisotopische Masse | 455,07937252 g/mol |
| SMILES | O=c1c2ccccc2c(=O)c2c1ccc1c(=O)c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 |
| InChIKey | HKFPGMSIDNGXLV-UHFFFAOYSA-N |
| PubChem CID | 57357255 |
| EC No. | 600-208-7 |
| DTXSID | DTXSID30723598 |
Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 97,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 1.000 |
| Siedepunkt | 769.1±60.0 °C(Predicted) |
| Dichte | 1.528±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | -9.58±0.20(Predicted) |
| CAS Datenbank | 10142-57-1 |
Herstellung & Synthese
synthetische
a) 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acidor 1-Nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid and 2-Aminoanthracene-9,10-dione condensation, and cyclization; (b) of Nitrobenzene in 1-Cyano-2-bromoanthraquinoneand 1-Aminoanthracene-9,10-dione condensation, and cyclization; (c)1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid and 2-Benzoyl-4-methyl-5-aminobenzoic acid condensation, then with sulfuric acid cyclization. Note: some are given in the literature in the “X” a take a methyl products method of preparation.