HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitroresorcin
4-Nitrobenzene-1,3-diol · 4-Nitroresorcin · Einecs 221-616-8 · 4-Nitroresorcinol
Identifikatoren & physikalische Daten
| CAS No. | 3163-07-3 |
|---|---|
| Summenformel | C6H5NO4 |
| Durchschnittliche Molmasse | 155,11 g/mol |
| Monoisotopische Masse | 155,02185764 g/mol |
| SMILES | O=[N+]([O-])c1ccc(O)cc1O |
| InChIKey | CYEZXDVLBGFROE-UHFFFAOYSA-N |
| PubChem CID | 76623 |
| ChEBI | CHEBI:173661 |
| EC No. | 221-616-8 |
| DTXSID | DTXSID60185509 |
| Lokaler Name | 4-Nitroresorcin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 155 |
| LogP (Verteilungskoeffizient) | 1.83 |
| Physical Description | Solid |
| Schmelzpunkt | 122 °C |
| Siedepunkt | 278.88°C (rough estimate) |
| Dichte | 1.5553 (rough estimate) |
| Brechungsindex | 1.5423 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)8.13g/L(24.70 ºC) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.17±0.13(Predicted) |
| Farbe | Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
4-Nitroresorcinol is used as a reagent in the synthesis of Deguelin (D229205); a compound that exhibits potent apoptotic and antiangiogenic activities in a variety of transformed cells and cancer cells. Deguelin also exhibits potent tumor suppressive effects in xenograft tumor models for many human cancers.