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4-Fluoro-3-(trifluoromethyl)aniline
5-AMINO-2-FLUOROBENZOTRIFLUORIDE · BUTTPARK 45\03-72 · 4-Fluoro-3-(trifluor · 2-Fluoro-5-aminotrifluoride · 5-Amino-2-Fluorobenzotrifluori · 3-TrifluoroMethyl-4-fluoroa... · α,α,α,4-Tetrafluoro-m-toluidine · 5-AMINO-2-FLUOROBENZTRIFLUORIDE
Identifikatoren & physikalische Daten
| CAS No. | 2357-47-3 |
|---|---|
| Summenformel | C7H5F4N |
| Durchschnittliche Molmasse | 179,11 g/mol |
| Monoisotopische Masse | 179,03581204 g/mol |
| SMILES | Nc1ccc(F)c(C(F)(F)F)c1 |
| InChIKey | PGFQDLOMDIBAPY-UHFFFAOYSA-N |
| PubChem CID | 75377 |
| EC No. | 219-095-7 |
| DTXSID | DTXSID1022184 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 156 |
| Siedepunkt | 207-208 °C (lit.) |
| Dichte | 1.393 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.466(lit.) |
| Flammpunkt | 197 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 3.43±0.10(Predicted) |
| Farbe | Colourless |
| Wichte | 1.41 |
| BRN | 641587 |
| InChI | InChI=1S/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2 |
| InChIKey | PGFQDLOMDIBAPY-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(F)C(C(F)(F)F)=C1 |
| CAS Datenbank | 2357-47-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4-fluoro-3-(trifluoromethyl)-(2357-47-3) |
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 | 29214300 |
| R-Sätze (R) | 20/21/22-36/37/38-23-21/22 |
| Gefahrensymbole | Xn,Xi,T |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Fluoro-3-(trifluoromethyl)aniline was used in the synthesis of well-defined rod-coil block copolymers of trifluoromethylated poly(phenylene oxide).