HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluor-3-nitroanilin
3-NITRO-4-FLUOROANILINE · 4-Fluoro-3-nitrobenzenamine · 5-AMINO-2-FLUORONITROBENZENE · 4-F-3NA · uoro-3-nitroaniL · 4-Fluoro-3-nitroanil · 4-Fluor-3-nitroanilin · 4-FLUORO-3-NITROANILINE
Identifikatoren & physikalische Daten
| CAS No. | 364-76-1 |
|---|---|
| Summenformel | C6H5FN2O2 |
| Durchschnittliche Molmasse | 156,11 g/mol |
| Monoisotopische Masse | 156,03350562 g/mol |
| SMILES | Nc1ccc(F)c([N+](=O)[O-])c1 |
| InChIKey | LLIOADBCFIXIEU-UHFFFAOYSA-N |
| PubChem CID | 67768 |
| ChEBI | CHEBI:48642 |
| EC No. | 206-665-5 |
| DTXSID | DTXSID5052042 |
| Lokaler Name | 4-Fluor-3-nitroanilin |
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 |
| Stoffklassen | Nitrogen Compounds -> Nitroanilines |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Yellow or gold powder[Alfa Aesar MSDS] |
| Ionization Efficiency | Positive3.652.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Schmelzpunkt | 94-96 °C (lit.) |
| Siedepunkt | 331.3±22.0 °C(Predicted) |
| Dichte | 0.43 g/cm3 (20℃) |
| Flammpunkt | 196 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 2.36±0.10(Predicted) |
| Farbe | Ochre |
| Löslichkeit | Insoluble |
| BRN | 2210199 |
| InChI | InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2 |
| InChIKey | LLIOADBCFIXIEU-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(F)C([N+]([O-])=O)=C1 |
| CAS Datenbank | 364-76-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4-fluoro-3-nitro-(364-76-1) |
| EPA chemische Informationen | 4-Fluoro-3-nitroaniline (364-76-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 4-Fluoro-3-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes changes in bladder weight, change in clotting factors, and changes in erythrocyte count in 90-day intermittent oral studies of rats[RTECS] A skin and strong eye irritantToxic by ingestionMay induce methemoglobinemia[Alfa Aesar MSDS] See 4-Chloro-2-nitroaniline, 2-Chloro-5-nitroaniline, and 1-Amino-2-chloro-4-nitrobenzene. |
| Hazard Classes and Categories | Acute Tox. 4 (95.9%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Toxicity Data | LC50 (rat) > 200,000 mg/m3/1hr |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29214210 |
| RTECS-Nr. | BY1700000 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37-37/39-26 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 OralAquatic Chronic 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Fluoro-3-nitroaniline is used in the preparation of commercial hair dyes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.