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2,4,5-Trifluoranilin
2,4,5-Trifluoroanili · 2,4,5-tifluoroaniline · 2,4,5-trifluoroaniune · 2,4,5-TRIFLUOROANILINE · 2,4,5-Trifluoroaniline99% · 2,4,5-Trifluoroaniline,98% · 2,4,5-Trifluoroaniline 99% · 2,4,5-trifluorophenylaMine
Identifikatoren & physikalische Daten
| CAS No. | 367-34-0 |
|---|---|
| Summenformel | C6H4F3N |
| Durchschnittliche Molmasse | 147,1 g/mol |
| Monoisotopische Masse | 147,02958379 g/mol |
| SMILES | Nc1cc(F)c(F)cc1F |
| InChIKey | QMYVWJVVVMIBMM-UHFFFAOYSA-N |
| PubChem CID | 94953 |
| EC No. | 206-692-2 |
| DTXSID | DTXSID50190147 |
| Lokaler Name | 2,4,5-Trifluoranilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 120 |
| Schmelzpunkt | 59-63 °C(lit.) |
| Siedepunkt | 100.5°C (rough estimate) |
| Dichte | 1.3510 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.25±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Beige |
| BRN | 2085734 |
| InChI | InChI=1S/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 |
| InChIKey | QMYVWJVVVMIBMM-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(F)=C(F)C=C1F |
| CAS Datenbank | 367-34-0(CAS DataBase Reference) |
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 46 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2941 |
| Zollcode | 29214200 |
| R-Sätze (R) | 20/21/22-36/37/38-41-38-21/22 |
| Gefahrensymbole | Xn,Xi,T |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2,4, 5-trifluoroaniline is a fluorinating reagent, mainly used as a raw material or intermediate in organic synthesis. It can react with acids to prepare 2,4, 5-trifluorophenacetic acid. It can also be used in the synthesis of agricultural chemicals, pharmaceuticals, dyes and special chemicals.