HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluoro-4-nitroaniline
3-Fluoro-4-nitrobenzenamine · Fluoronitroaniline2 · 3-Fluoro-4-nitroanil · Afatinib Impurity 99 · 4-nitro-3-fluoroanilin · 4-nitro-3-fluoroaniline · 3-FLUORO-4-NITROANILINE · 3-Fluoro-4-nitroaniline>4-Amino-2-fluoronitrobenzene
Identifikatoren & physikalische Daten
| CAS No. | 2369-13-3 |
|---|---|
| Summenformel | C6H5FN2O2 |
| Durchschnittliche Molmasse | 156,11 g/mol |
| Monoisotopische Masse | 156,03350562 g/mol |
| SMILES | Nc1ccc([N+](=O)[O-])c(F)c1 |
| InChIKey | KKQPNAPYVIIXFB-UHFFFAOYSA-N |
| PubChem CID | 75401 |
| EC No. | 219-130-6 |
| DTXSID | DTXSID00178354 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 159 |
| Schmelzpunkt | 152-157°C |
| Siedepunkt | 335.2±22.0 °C(Predicted) |
| Dichte | 1.448±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -0.02±0.10(Predicted) |
| Farbe | Light yellow to Brown |
| InChI | InChI=1S/C6H5FN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2 |
| InChIKey | KKQPNAPYVIIXFB-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C([N+]([O-])=O)C(F)=C1 |
| CAS Datenbank | 2369-13-3(CAS DataBase Reference) |
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%) |
| Zollcode | 29214200 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36/37/39-36/37-9 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
3-Fluoro-4-nitroaniline is a fluorine-containing aniline compound, which is mainly used as a raw material for organic synthesis or a reagent for chemical reactions. It can be used to synthesise halogenated organic benzenes such as 2,4-Difluoronitrobenzene and 2-Fluoro-4-iodo-1-nitrobenzene.