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2,3,4,5,6-Pentafluoranilin
PENTAFLUOROANILINE · Perfluoroaniline · PENTAFLUORANILINE · 2,3,4,5,6-Pentafluor · Pentafluorobenzenamin · Pentafluoroaniline>Pentafluorophenylamine · Pentafluoroaniline 99% · Pentafluoroaniline,99%
Identifikatoren & physikalische Daten
| CAS No. | 771-60-8 |
|---|---|
| Summenformel | C6H2F5N |
| Durchschnittliche Molmasse | 183,08 g/mol |
| Monoisotopische Masse | 183,01074016 g/mol |
| SMILES | Nc1c(F)c(F)c(F)c(F)c1F |
| InChIKey | NOXLGCOSAFGMDV-UHFFFAOYSA-N |
| PubChem CID | 13040 |
| EC No. | 212-234-2 |
| DTXSID | DTXSID8022119 |
| Lokaler Name | 2,3,4,5,6-Pentafluoranilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 150 |
| SpringerMaterials Properties | Fusion temperature |
| Schmelzpunkt | 33-35 °C (lit.) |
| Siedepunkt | 153 °C (lit.) |
| Dichte | 1,744 g/cm3 |
| Flammpunkt | 165 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | toluene: solubleSoluble in toluene, and organic solvents. Insoluble in water. |
| Aggregatzustand | Crystalline Low Melting Solid |
| pKa (Säurekonstante) | -0.16±0.10(Predicted) |
| Farbe | White to salmon |
| BRN | 1819387 |
| InChI | 1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2 |
| InChIKey | NOXLGCOSAFGMDV-UHFFFAOYSA-N |
| SMILES | Nc1c(F)c(F)c(F)c(F)c1F |
| CAS Datenbank | 771-60-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2,3,4,5,6-pentafluoro-(771-60-8) |
| EPA chemische Informationen | Benzenamine, 2,3,4,5,6-pentafluoro- (771-60-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (12%): 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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (12%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214210 |
| RTECS-Nr. | BY7920000 |
| R-Sätze (R) | 36/37/38-22 |
| Toxizität | LD50 ipr-rat: 390 mg/kg IZSBAI 3,91,65 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,3,4,5,6-Pentafluoroaniline finds it uses in the preparation of pentafluorophenylammonium triflate, an efficient catalyst for esterification and thioesterification. It is also used in the synthesis of various titanium complexes having two anionic [N, O-] bidentate salicylaldiminato ligands.