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2-Fluor-4-nitroanilin
2-Fluoro-4-nitrobenzenamine · 2-Fluoro-4-nitroanil · 2-Fluor-4-nitroanilin · 2-FLUORO-4-NITROANILNE · 2-Fluoro-4-niroaniline · 2-FLUORO-4-NITROANILINE · 2-Fluoro-4-nitroaninline · 2-Fluoro-4-nitroaniline>2-Fluoro-4-nitroaniline 95%
Identifikatoren & physikalische Daten
| CAS No. | 369-35-7 |
|---|---|
| Summenformel | C6H5FN2O2 |
| Durchschnittliche Molmasse | 156,11 g/mol |
| Monoisotopische Masse | 156,03350562 g/mol |
| SMILES | Nc1ccc([N+](=O)[O-])cc1F |
| InChIKey | LETNCFZQCNCACQ-UHFFFAOYSA-N |
| PubChem CID | 101254 |
| EC No. | 206-719-8 |
| DTXSID | DTXSID10190380 |
| Lokaler Name | 2-Fluor-4-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 |
| Schmelzpunkt | 122-130 °C |
| Siedepunkt | 317.2±22.0 °C(Predicted) |
| Dichte | 1.448±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -0.45±0.10(Predicted) |
| Farbe | Light orange to Yellow to Green |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2 |
| InChIKey | LETNCFZQCNCACQ-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C([N+]([O-])=O)C=C1F |
| CAS Datenbank | 369-35-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29214200 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37 |
| Gefahrenklasse | IRRITANT, IRRITANT-HARMFULAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is used as a pharmaceutical intermediate.