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α,α,α,4-Tetrafluor-o-toluidin
4-FLUORO-2-(TRIFLUOROMETHYL)ANILINE · 2-Amino-5-fluorobenz · 4-Fluoro-2-(Trifluoromethyl)an · α,α,α,4-Tetrafluoro-o-toluidine · 2-AMINO-5-FLUOROBENZOTRIFLUORIDE · 5-FLUORO-2-AMINOBENZOTRIFLUORIDE · 2-Amino-5-fluorobenzotrifluoride99% · 2-(Trifluoromethyl)-4-fluoroaniline
Identifikatoren & physikalische Daten
| CAS No. | 393-39-5 |
|---|---|
| Summenformel | C7H5F4N |
| Durchschnittliche Molmasse | 179,11 g/mol |
| Monoisotopische Masse | 179,03581204 g/mol |
| SMILES | Nc1ccc(F)cc1C(F)(F)F |
| InChIKey | LRCQLCWUUBSUOY-UHFFFAOYSA-N |
| PubChem CID | 67853 |
| ChEBI | CHEBI:230764 |
| EC No. | 206-886-7 |
| DTXSID | DTXSID9022029 |
| Lokaler Name | α,α,α,4-Tetrafluor-o-toluidin |
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 | 70-72 °C17.5 mm Hg(lit.) |
| Dichte | 1.38 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.464(lit.) |
| Flammpunkt | 162 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 1.52±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Yellow to Orange |
| Wichte | 1.380 |
| BRN | 2098758 |
| InChI | 1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2 |
| InChIKey | LRCQLCWUUBSUOY-UHFFFAOYSA-N |
| SMILES | Nc1ccc(F)cc1C(F)(F)F |
| CAS Datenbank | 393-39-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4-fluoro-2-(trifluoromethyl)-(393-39-5) |
| EPA chemische Informationen | 4-Fluoro-2-(trifluoromethyl)aniline (393-39-5) |
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 48 reports by companies from 8 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 |
| Zollcode | 29039990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Fluoro-2-(trifluoromethyl)aniline was used in the preparation of 2-[4-(3-bromophenyl)-7-chloro-6-methyl-2-oxo-2H-chromen-3-yl]-N-[4-fluoro-2-(trifluoro-methyl)phenyl]acetamide.