HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methoxy-2-nitrobenzonitrile
4-Methoxy-2-nitrobenzonitrile · 2-nitro-4-Methoxybenzonitrile · Benzonitrile, 4-methoxy-2-nitro- · 4-METHOXY-2-NITROBENZONITRILE ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 38469-83-9 |
|---|---|
| Summenformel | C8H6N2O3 |
| Durchschnittliche Molmasse | 178,14 g/mol |
| Monoisotopische Masse | 178,03784205 g/mol |
| SMILES | COc1ccc(C#N)c([N+](=O)[O-])c1 |
| InChIKey | UUYPUFCWSUBTFP-UHFFFAOYSA-N |
| PubChem CID | 288665 |
| EC No. | 627-718-2 |
| DTXSID | DTXSID30302281 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 240 |
| Schmelzpunkt | 137-140 °C(lit.) |
| Siedepunkt | 364.5±27.0 °C(Predicted) |
| Dichte | 1.32±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to beige |
| InChI | 1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3 |
| InChIKey | UUYPUFCWSUBTFP-UHFFFAOYSA-N |
| SMILES | COc1ccc(C#N)c(c1)[N+]([O-])=O |
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 41 reports by companies from 4 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 | 29269090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Methoxy-2-nitrobenzonitrile may be used to synthesize, 4-methoxy-N′-(4-methoxyphenyl)-2-nitrobenzene-1-carboximidamideby heating with p-anisidine and trimethylaluminium in toluene.