HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Dimethylamino-2-nitrobenzaldehyde
4-Dimethylamino-2-nitrobenzaldehyde 97% · 4-Dimethylamino-2-nitrobenzaldehyde 97 · Benzaldehyde, 4-(dimethylamino)-2-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 56670-20-3 |
|---|---|
| Summenformel | C9H10N2O3 |
| Durchschnittliche Molmasse | 194,19 g/mol |
| Monoisotopische Masse | 194,06914218 g/mol |
| SMILES | CN(C)c1ccc(C=O)c([N+](=O)[O-])c1 |
| InChIKey | DHLFXZQEAWYQLC-UHFFFAOYSA-N |
| PubChem CID | 291352 |
| EC No. | 623-497-1 |
| DTXSID | DTXSID10303079 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 225 |
| Schmelzpunkt | 117 °C (dec.) (lit.) |
| Siedepunkt | 365.5±32.0 °C(Predicted) |
| Dichte | 1.286±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | -0.70±0.22(Predicted) |
| InChI | 1S/C9H10N2O3/c1-10(2)8-4-3-7(6-12)9(5-8)11(13)14/h3-6H,1-2H3 |
| InChIKey | DHLFXZQEAWYQLC-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccc(C=O)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 39 reports by companies from 2 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 |
| 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-Dimethylamino-2-nitrobenzaldehyde may be used to synthesize the following substituted 4-(dimethylamino)-6-nitrobenzaldehydes:5-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3,5-dichloro-4-(dimethylamino)-6-nitrobenzaldehyde