HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Methoxy-2-nitrophenol
FR-2322 · NSC 1167 · TIMTEC-BB SBB008609 · 2-Nitro-5-methoxyphenol · 5-METHOZY-2-NITROPHENOL · 3-Methoxy-6-nitrophenol · 5-Methoxy-2-nitrophenol · 3-HYDROXY-4-NITROANISOLE
Identifikatoren & physikalische Daten
| CAS No. | 704-14-3 |
|---|---|
| Summenformel | C7H7NO4 |
| Durchschnittliche Molmasse | 169,13 g/mol |
| Monoisotopische Masse | 169,0375077 g/mol |
| SMILES | COc1ccc([N+](=O)[O-])c(O)c1 |
| InChIKey | NRTULWPODYLFOJ-UHFFFAOYSA-N |
| PubChem CID | 219635 |
| EC No. | 621-062-0 |
| DTXSID | DTXSID20277212 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 167 |
| Schmelzpunkt | 92-94 °C(lit.) |
| Siedepunkt | 298.4°C (rough estimate) |
| Dichte | 1.367 |
| Brechungsindex | 1.5830 (rough estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 6.95±0.13(Predicted) |
| Aggregatzustand | Powder or Crystals |
| Farbe | Yellow |
| CAS Datenbank | 704-14-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 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 |
| Zollcode | 29095000 |
| R-Sätze (R) | 37/38-41-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
5-Methoxy-2-nitrophenol is a reagent in the synthesis of conformationally constrained spirocycles, which are used as CCR1 antagonists. 5-Methoxy-2-nitrophenol is also used in the preparation of phenylsulfonyl aminophenoxybenzoates which can serve as EP1 receptor antagonists.