HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Hydroxy-3,5-dinitrobenzoesure
4-HYDROXY-3,5-DINITROBENZOIC ACID · AKOS BB-9288 · 4-Carboxy-2,5-dinitrophenol · 3,5-DINITRO-4-HYDROXYBENZOIC ACID · 3,5-Dinitro-4-hydroxybenzonic Acid · Benzoic acid, 4-hydroxy-3,5-dinitro- · 4-HYDROXY-3 5-DINITROBENZOIC ACID 95% · 3,5-Dinitro-4-hydroxybenzoic acid, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 1019-52-9 |
|---|---|
| Summenformel | C7H4N2O7 |
| Durchschnittliche Molmasse | 228,12 g/mol |
| Monoisotopische Masse | 228,00185047 g/mol |
| SMILES | O=C(O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 |
| InChIKey | GBSWIDSKAJFWMF-UHFFFAOYSA-N |
| PubChem CID | 70552 |
| EC No. | 213-814-8 |
| DTXSID | DTXSID30144325 |
| Lokaler Name | 4-Hydroxy-3,5-dinitrobenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 149 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 296 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 245 °C (dec.)(lit.) |
| Siedepunkt | 369.91°C (rough estimate) |
| Dichte | 1.7914 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.02±0.10(Predicted) |
| Farbe | Light Yellow to Yellow |
| CAS Datenbank | 1019-52-9 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
Anwendungen & Verwendung
Verwenden
3,5-Dinitro-4-hydroxybenzoic Acid is used in preparation of benzamide derivatives as corticotropin releasing factor receptor antagonists.