HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-(2-Nitrophenyl)-2-furaldehyde
AKOS B022242 · AKOS BB-8348 · ASISCHEM N32003 · ART-CHEM-BB B022242 · TIMTEC-BB SBB000564 · 5-(2-NITROPHENYL)FURFURAL · 5-(2-Nitrophenyl)furfural,99% · 5-(2-NITROPHENYL)-2-FURALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 20000-96-8 |
|---|---|
| Summenformel | C11H7NO4 |
| Durchschnittliche Molmasse | 217,18 g/mol |
| Monoisotopische Masse | 217,0375077 g/mol |
| SMILES | O=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 |
| InChIKey | QBYRUURYXPVDAK-UHFFFAOYSA-N |
| PubChem CID | 673649 |
| EC No. | 624-559-0 |
| DTXSID | DTXSID70350089 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 76 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 276 |
| Schmelzpunkt | 94-97 °C(lit.) |
| Siedepunkt | 105-107 °C30 mm Hg(lit.) |
| Dichte | 1.3654 (rough estimate) |
| Brechungsindex | 1.4900 (estimate) |
| Aggregatzustand | solid |
| InChI | 1S/C11H7NO4/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-7H |
| InChIKey | QBYRUURYXPVDAK-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(o1)-c2ccccc2[N+]([O-])=O |
| CAS Datenbank | 20000-96-8(CAS DataBase Reference) |
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 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 | 29321900 |
| 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
5-(2-Nitrophenyl)furfural (5-(2-nitrophenyl)-2-furfuraldehyde) was used in the synthesis of (5-(2-nitrophenyl)furfuran-2-yl)methanol.It may be used in the synthesis of 2-{[5-(2-nitrophenyl)furan-2-yl]methyleneamino}benzoic acid (HOBZ) by reacting with 2-aminobenzoic acid.