HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4-Dinitrobenzaldehyd
AKOS 90749 · 2,4-DinitrobenzaL · m-Dintrobenzaldehyde · SALOR-INT L170321-1EA · 4-Dinitrobenzaldehyde · 2,4-dinitro-benzaldehyd · 2,4-DINITROBENZALDEHYDE · 2,4- twonitrobenzaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 528-75-6 |
|---|---|
| Summenformel | C7H4N2O5 |
| Durchschnittliche Molmasse | 196,12 g/mol |
| Monoisotopische Masse | 196,01202123 g/mol |
| SMILES | O=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
| InChIKey | ZILXIZUBLXVYPI-UHFFFAOYSA-N |
| PubChem CID | 68250 |
| EC No. | 208-440-7 |
| DTXSID | DTXSID30200778 |
| Lokaler Name | 2,4-Dinitrobenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 109 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 256 |
| Schmelzpunkt | 66-70 °C (lit.) |
| Siedepunkt | 190 °C/10 mmHg (lit.) |
| Dichte | 1.6665 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Flammpunkt | 190°C/10mm |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Light Brown to Light Red |
| Merck | 14,3272 |
| BRN | 1878706 |
| InChI | InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H |
| InChIKey | ZILXIZUBLXVYPI-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O |
| CAS Datenbank | 528-75-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Dinitrobenzaldehyde(528-75-6) |
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 45 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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29124990 |
| RTECS-Nr. | CU5957000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,4-Dinitrobenzaldehyde is a reagent used in the preparation of Schiff bases.