HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitrosalicylaldehyd
NSC 82622 · 4-nitrosalicylaldehyde · Salicylaldehyde, 4-nitro- · 2-Hydroxy-4-nitro-benzaldehyde · BENZALDEHYDE, 2-HYDROXY-4-NITRO-
Identifikatoren & physikalische Daten
| CAS No. | 2460-58-4 |
|---|---|
| Summenformel | C7H5NO4 |
| Durchschnittliche Molmasse | 167,12 g/mol |
| Monoisotopische Masse | 167,02185764 g/mol |
| SMILES | O=Cc1ccc([N+](=O)[O-])cc1O |
| InChIKey | HHDPXULKSZZACU-UHFFFAOYSA-N |
| PubChem CID | 75570 |
| EC No. | 219-549-4 |
| DTXSID | DTXSID80179349 |
| Lokaler Name | 4-Nitrosalicylaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 188 |
| Schmelzpunkt | 128-130°C |
| Siedepunkt | 309.2±32.0 °C(Predicted) |
| Dichte | 1.500±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform, Dichloromethane, Methanol, |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.37±0.19(Predicted) |
| Farbe | Yellow Crystalline |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Zollcode | 2913000090 |
| R-Sätze (R) | 43 |
| Sicherheitshinweise (S) | 36/37 |
Anwendungen & Verwendung
Verwenden
2-Hydroxy-4-nitrobenzaldehyde (cas# 2460-58-4) is a compound useful in organic synthesis.