HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluoro-4-nitrophenol
2-Fluoro-4-nitro · 5-Fluoro-2-nitrophen · 4-nitro-2-fluorophenol · 2-Fluoro-4-nitrophenol · o-fluoro-4-nitrophenol · 4-nitro-o-fluorophenol · 2-Fluoro-4-nitrophenol>Phenol, 2-fluoro-4-nitro- · 2-Fluoro-4-nitrophenol,99%
Identifikatoren & physikalische Daten
| CAS No. | 403-19-0 |
|---|---|
| Summenformel | C6.H4.F.N.O3 |
| Durchschnittliche Molmasse | 157,1 g/mol |
| Monoisotopische Masse | 157,01752121 g/mol |
| SMILES | O=[N+]([O-])c1ccc(O)c(F)c1 |
| InChIKey | ORPHLVJBJOCHBR-UHFFFAOYSA-N |
| PubChem CID | 9825 |
| ChEMBL | CHEMBL236536 |
| EC No. | 628-527-7 |
| DTXSID | DTXSID7075393 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 158 |
| Stoffklassen | Nitrogen Compounds -> Nitrophenols |
| Dampfdruck | 0.0026 [mmHg] |
| Physical Description | Off-white or light brown solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 120-122 °C (lit.) |
| Siedepunkt | 281.2±25.0 °C(Predicted) |
| Dichte | 1.4306 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 5.67±0.22(Predicted) |
| Farbe | White to Light yellow |
| BRN | 1944995 |
| InChI | InChI=1S/C6H4FNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H |
| InChIKey | ORPHLVJBJOCHBR-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C([N+]([O-])=O)C=C1F |
| CAS Datenbank | 403-19-0(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Fluoro-4-nitrophenol (403-19-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98%): 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] See 4-Nitrophenol. |
| Hazard Classes and Categories | Acute Tox. 4 (98%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29089000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Fluoro-4-nitrophenol may be used in chemical synthesis.