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2-Aminobenzaldehyd
O-AMINOBENZALDEHYDE · ANTHRANILALDEHYDE · 2-amino-benzaldehyd · Benzaldehyde, 2-amino- · 2-Formylaniline · Ambroxol Imp.14 · 2-Aminobenzaldeyhde · 2-AMINOBENZALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 529-23-7 |
|---|---|
| Summenformel | C7H7NO |
| Durchschnittliche Molmasse | 121,14 g/mol |
| Monoisotopische Masse | 121,05276384 g/mol |
| SMILES | Nc1ccccc1C=O |
| InChIKey | FXWFZIRWWNPPOV-UHFFFAOYSA-N |
| PubChem CID | 68255 |
| EC No. | 208-454-3 |
| DTXSID | DTXSID6060183 |
| Lokaler Name | 2-Aminobenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| Schmelzpunkt | 38°C |
| Siedepunkt | 225.84°C (rough estimate) |
| Dichte | 1.1344 (rough estimate) |
| Brechungsindex | 1.5323 (estimate) |
| Flammpunkt | 113 °C |
| Lagerbedingungen | -20°C |
| pKa (Säurekonstante) | -0.01±0.10(Predicted) |
| Aggregatzustand | Low Melting Solid |
| Farbe | White to yellow |
| Stabilität | Unstable: reported to polymerize rapidly at room temperature. Incompatible with strong oxidizing agents, strong bases. Store at -20 C. |
| InChI | InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2 |
| InChIKey | FXWFZIRWWNPPOV-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=CC=C1N |
| LogP (Verteilungskoeffizient) | 1.080 (est) |
| CAS Datenbank | 529-23-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Aminobenzaldehyde(529-23-7) |
| EPA chemische Informationen | Benzaldehyde, 2-amino- (529-23-7) |
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29223990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for:Preparation of quinoline derivatives as antiviral agentsPreparation of electroluminescent materials for OLEDsFriedlander-type synthesisPreparation of 2-tosylaminophenyl cyclopropylmethanols for gold-catalyzed cyclopropyl carbinol rearrangementBenzyl C-H bond amination of arylmethylamines catalyzed by hydroxy-TEMPOSilver-catalyzed aniline mediated cascade hydroamination/cycloaddition reactions