HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluor-2-nitroanilin
4-FLUORO-2-NITROANILINE · uoro-2-nitroaniL · 4-Fluoro-2-nitrobenz · 4-fluoro-2-nitroanile · 4-Fluor-2-nitro-aniline · 2-NITRO-4-FLUOROANILINE · 4-Fluoro-2-nitrioaniline · 4-Fluoro-2-nitroaniline97%
Identifikatoren & physikalische Daten
| CAS No. | 364-78-3 |
|---|---|
| Summenformel | C6H5FN2O2 |
| Durchschnittliche Molmasse | 156,11 g/mol |
| Monoisotopische Masse | 156,03350562 g/mol |
| SMILES | Nc1ccc(F)cc1[N+](=O)[O-] |
| InChIKey | PUGDHSSOXPHLPT-UHFFFAOYSA-N |
| PubChem CID | 67769 |
| ChEMBL | CHEMBL4556558 |
| EC No. | 206-666-0 |
| DTXSID | DTXSID20189922 |
| Lokaler Name | 4-Fluor-2-nitroanilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 159 |
| SpringerMaterials Properties | 19F nuclear magnetic resonance spectrum |
| Schmelzpunkt | 90-94 °C (lit.) |
| Siedepunkt | 295.1±20.0 °C(Predicted) |
| Dichte | 1.3822 (estimate) |
| Flammpunkt | 193 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | -0.11±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Orange to brown |
| Löslichkeit | INSOLUBLE |
| BRN | 2210197 |
| InChI | InChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2 |
| InChIKey | PUGDHSSOXPHLPT-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(F)C=C1[N+]([O-])=O |
| CAS Datenbank | 364-78-3(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Fluoro-2-nitroaniline(364-78-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29214200 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37-36/37/39 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Fluoro-2-nitroaniline is used as a reagent in the preparation of 4-fluoro-o-phenylenediamine, 4-fluoro-N-ethyl-2-nitroaniline and N-(4-fluoro-2-nitrophenyl)-beta-alanine. It is also employed as a pharmaceutical intermediate. It acts as monodendate O-bonded ligand used in the coordination chemistry to form complexes with copper(II), nickel(II) and cobalt(II).