HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Nitro-2-oxindole
5-Nitroindolin-2-one · B71139 · NSC 25199 · NSC 99066 · 5-Nitrooxidole · 5-Nitrooxindole · 5-NITRO-2-OXINDOLE · 5-Nitrooxindole 96%
Identifikatoren & physikalische Daten
| CAS No. | 20870-79-5 |
|---|---|
| Summenformel | C8H6N2O3 |
| Durchschnittliche Molmasse | 178,14 g/mol |
| Monoisotopische Masse | 178,03784205 g/mol |
| SMILES | O=C1Cc2cc([N+](=O)[O-])ccc2N1 |
| InChIKey | JQCGHRDKVZPCRO-UHFFFAOYSA-N |
| PubChem CID | 230366 |
| EC No. | 628-016-9 |
| DTXSID | DTXSID50282253 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 248 |
| Schmelzpunkt | 233-236 °C |
| Siedepunkt | 411.4±45.0 °C(Predicted) |
| Dichte | 1.449±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 12.61±0.20(Predicted) |
| Aggregatzustand | solid |
| Farbe | Beige |
| InChI | 1S/C8H6N2O3/c11-8-4-5-3-6(10(12)13)1-2-7(5)9-8/h1-3H,4H2,(H,9,11) |
| InChIKey | JQCGHRDKVZPCRO-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc2NC(=O)Cc2c1 |
| CAS Datenbank | 20870-79-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933790090 |
| R-Sätze (R) | 36/37/38-43 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for synthesis of 3-[4-(amino/methylsulfonyl)phenyl]methylene-indolin-2-one derivatives as novel COX-1/2 and 5-LOX inhibitorsReactant for preparation of Aurora kinase inhibitorsReactant for synthesis of 3-substituted 2-indolinone RET inhibitorsReactant for synthesis of 4-azachromeno[2,3-b]indol-11(6H)-ones and derivatives as analogs of ellipticineReactant for preparation of [18F]fluorobenzylidene-indolinone as possible tyrosine kinase inhibitor for PET tumor imagingReactant for preparation of 3-substituted indolin-2-ones as neuroprotective and toxic agents