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3,5-Dinitrosalicylaldehyd
3,5-DINITROSALICYLALDEHYDE · 3,5-Dinitrosalicylaldehyde 97% · 3,5-DINITRO-2-HYDROXYBENZALDEHYDE · 2-HYDROXY-3,5-DINITROBENZALDEHYDE · 2-formyl-4,6-dinitrobenzen-1-olate · Benzaldehyde, 2-hydroxy-3,5-dinitro- · 2-HYDROXY-3,5-DINITROBENZALDEHYDE 95% · BENZENE DERIVATIVE(3,5- DINITROSALICYLALDEHYDE )
Identifikatoren & physikalische Daten
| CAS No. | 2460-59-5 |
|---|---|
| Summenformel | C7H4N2O6 |
| Durchschnittliche Molmasse | 212,12 g/mol |
| Monoisotopische Masse | 212,00693585 g/mol |
| SMILES | O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O |
| InChIKey | FLJXIBHYDIMYRS-UHFFFAOYSA-N |
| PubChem CID | 75571 |
| EC No. | 219-551-5 |
| DTXSID | DTXSID4062434 |
| Lokaler Name | 3,5-Dinitrosalicylaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 129 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 282 |
| Schmelzpunkt | 68-70 °C(lit.) |
| Siedepunkt | 301.5±42.0 °C(Predicted) |
| Dichte | 1.721±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 2.06±0.44(Predicted) |
| Löslichkeit | Soluble in water, 0.6 g/100 mL (18°C). |
| BRN | 1121900 |
| InChI | 1S/C7H4N2O6/c10-3-4-1-5(8(12)13)2-6(7(4)11)9(14)15/h1-3,11H |
| InChIKey | FLJXIBHYDIMYRS-UHFFFAOYSA-N |
| SMILES | Oc1c(C=O)cc(cc1[N+]([O-])=O)[N+]([O-])=O |
| CAS Datenbank | 2460-59-5(CAS DataBase Reference) |
| EPA chemische Informationen | Benzaldehyde, 2-hydroxy-3,5-dinitro- (2460-59-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is used to produce 3-(2-hydroxy-3,5-dinitro-phenyl)-propenal with acetaldehyde. 3,5-Dinitrosalicylaldehyde has been used in the preparation of salicyldimine ligand via Schiff base condensation with allyl-substituted aniline, 3-hydroxycoumarins2, chromogenic proteinase substrates and ruthenium(II) chiral Schiff base complexes.