HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(α-(4-Hydroxy-1-naphthyl)benzyliden)naphthalin-1(4H)-on
α-Naphtholbenzein · A-NAPHTHOLBENZEIN · ALPHA-NAPHTHOLBENZEIN · 1-NAPHTHOLBENZEIN Indicator grade · Nsc 9862 · 8.2-10.0) · pha-NaphthoL · p-phtolbenzein
Identifikatoren & physikalische Daten
| CAS No. | 145-50-6 |
|---|---|
| Summenformel | C27H18O2 |
| Durchschnittliche Molmasse | 374,4 g/mol |
| Monoisotopische Masse | 374,13067981 g/mol |
| SMILES | O=C1C=CC(=C(c2ccccc2)c2ccc(O)c3ccccc23)c2ccccc21 |
| InChIKey | VDDWRTZCUJCDJM-UHFFFAOYSA-N |
| PubChem CID | 67352 |
| DTXSID | DTXSID6059730 |
| Lokaler Name | 4-(α-(4-Hydroxy-1-naphthyl)benzyliden)naphthalin-1(4H)-on |
Chemische & physikalische Eigenschaften
| XLogP | 6,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 668 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 235 °C |
| Siedepunkt | 463.44°C (rough estimate) |
| Dichte | 1.0946 (rough estimate) |
| Dampfdichte | 12.9 (vs air) |
| Brechungsindex | 1.4875 (estimate) |
| Flammpunkt | Not applicable |
| Lagerbedingungen | Store at +5°C to +30°C. |
| Löslichkeit | Solubility Insoluble in watersoluble in ethanol, methanol |
| pKa (Säurekonstante) | 8.95(at 25℃) |
| Aggregatzustand | powder to crystal |
| Farbe | Orange to Amber to Dark red |
| pH | 0.0, green0.8, yellow10.0, blue-green8.2, yellow |
| Geruch | Odorless |
| BRN | 3471575 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24- |
| InChIKey | VDDWRTZCUJCDJM-SOYKGTTHSA-N |
| SMILES | Oc1ccc(\C(c2ccccc2)=C3\C=CC(=O)c4ccccc34)c5ccccc15 |
| CAS Datenbank | 145-50-6(CAS DataBase Reference) |
| EPA chemische Informationen | 1(4H)-Naphthalenone, 4-[(4-hydroxy-1-naphthalenyl)phenylmethylene]- (145-50-6) |
Sicherheit & Vorschriften
| F | 10-21 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29145000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 4 |
Anwendungen & Verwendung
Verwenden
alpha-Naphtholbenzein is a pH indicator (pH 0.0-0.8/ pH 8.2-10.0). Dyes and metabolites.