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Methyl-3,5-dinitrosalicylat
NSC 203306 · 3,5-DNSA-ME · RARECHEM AL BF 0171 · 3,5-DINITROMETHYLSALICYLATE · METHYL 3,5-DINITROSALICYLATE · METHYL 3,5-DINITRO-2-HYDROXYBENZOATE · Methyl 2-hydroxy-3,5-dinitrobenzoate · 3,5-dinitrosalicyclic acid methy ester
Identifikatoren & physikalische Daten
| CAS No. | 22633-33-6 |
|---|---|
| Summenformel | C8H6N2O7 |
| Durchschnittliche Molmasse | 242,14 g/mol |
| Monoisotopische Masse | 242,01750053 g/mol |
| SMILES | COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O |
| InChIKey | UMELTKSLWXJXNZ-UHFFFAOYSA-N |
| PubChem CID | 89779 |
| EC No. | 245-144-7 |
| DTXSID | DTXSID6066816 |
| Lokaler Name | Methyl-3,5-dinitrosalicylat |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 138 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 334 |
| Schmelzpunkt | 125-127 |
| Siedepunkt | 347.7±42.0 °C(Predicted) |
| Dichte | 1.620±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, DMSO, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.81±0.44(Predicted) |
| Farbe | Off-white to Pale Yellow |
| CAS Datenbank | 22633-33-6(CAS DataBase Reference) |
| EPA chemische Informationen | Benzoic acid, 2-hydroxy-3,5-dinitro-, methyl ester (22633-33-6) |
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 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%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2918199890 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
Derivative of Salicylic acid.