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2,4,6-Trifluoranilin
2,4,6-TRIFLUOROBENZENAMINE · 2,4,6-Trifluoroanili · 2,4,6-Trifluoroanilin · 2,4,6-trifluoroaniune · 2,4,6-TRIFLUOROANILINE · 2,4,6-Trifluoroaniline,98% · 2,4,6-TRIFLUOROANILINE, 97+% · Benzenamine, 2,4,6-trifluoro-
Identifikatoren & physikalische Daten
| CAS No. | 363-81-5 |
|---|---|
| Summenformel | C6H4F3N |
| Durchschnittliche Molmasse | 147,1 g/mol |
| Monoisotopische Masse | 147,02958379 g/mol |
| SMILES | Nc1c(F)cc(F)cc1F |
| InChIKey | BJSVKBGQDHUBHZ-UHFFFAOYSA-N |
| PubChem CID | 67765 |
| EC No. | 206-660-8 |
| DTXSID | DTXSID80189842 |
| Lokaler Name | 2,4,6-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 | 108 |
| LogP (Verteilungskoeffizient) | 1.81 |
| Schmelzpunkt | 33-37 °C (lit.) |
| Siedepunkt | 57 °C/22 mmHg (lit.) |
| Dichte | 1.3510 (estimate) |
| Flammpunkt | 136 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 1.87±0.10(Predicted) |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Light yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 2831022 |
| InChI | InChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2 |
| InChIKey | BJSVKBGQDHUBHZ-UHFFFAOYSA-N |
| SMILES | C1(N)=C(F)C=C(F)C=C1F |
| CAS Datenbank | 363-81-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4,6-Trifluoroaniline(363-81-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (98%): Flammable solid [Danger Flammable solids]P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Sol. 2 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1325 4.1/PG 3 |
| Zollcode | 29214200 |
| R-Sätze (R) | 36/37-41-38-21/22-11-37/38 |
| Gefahrensymbole | Xi,Xn,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-39-36/37/39-16 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Flam. Sol. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4,6-Trifluoroaniline was used in the synthesis of 3-nitro-2,4,6 -trifluoroacetanilide; eries of N-phenyl-N-(1- phenyl cyclopentyl)-methyl ureas and 4-substituted 2,6-difluoro N-aryl pyridinones.