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5-Fluor-2-nitrophenol
5-Fluor-2-nitrophenol · NSC 10284 · uoro-2-nitrophenoL · 2-Nitro-5-Fluorophenol · 5-FLUORO-2-NITROPHENOL · 3-FLUORO-6-NITROPHENOL · 6-Nitro-3-fluorophenol · PHENOL,5-FLUORO-2-NITRO
Identifikatoren & physikalische Daten
| CAS No. | 446-36-6 |
|---|---|
| Summenformel | C6H4FNO3 |
| Durchschnittliche Molmasse | 157,1 g/mol |
| Monoisotopische Masse | 157,01752121 g/mol |
| SMILES | O=[N+]([O-])c1ccc(F)cc1O |
| InChIKey | QQURWFRNETXFTN-UHFFFAOYSA-N |
| PubChem CID | 9937 |
| EC No. | 207-168-6 |
| DTXSID | DTXSID40196239 |
| Lokaler Name | 5-Fluor-2-nitrophenol |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 158 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 34-37 °C (lit.) |
| Siedepunkt | 260°C |
| Dichte | 1.4306 (estimate) |
| Flammpunkt | 197 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Powder, Crystals or Crystalline Mass and/or Chunks |
| pKa (Säurekonstante) | 6.18±0.13(Predicted) |
| Farbe | yellow |
| Löslichkeit | slightly soluble |
| BRN | 1870311 |
| Henry-Konstante | 5.0×10-1 mol/(m3Pa) at 25℃, Tremp et al. (1993) |
| InChI | InChI=1S/C6H4FNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H |
| InChIKey | QQURWFRNETXFTN-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(F)=CC=C1[N+]([O-])=O |
| CAS Datenbank | 446-36-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (96%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29089000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36/37-36/37/39-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Fluoro-2-nitrophenol has been used in:total synthesis of the (+/)-CC-1065 CPI subunitsynthesis of 2-(7-fluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindoline-1,3-diones7-substituted 2H-1,4-benzoxazin-3-(4H)-ones, possessing therapeutic potential as inhibitors of angiogenesis