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4-Amino-2,3,5,6-tetrafluorbenzoesure
CHEMPACIFIC 43828 · RARECHEM AL BO 0226 · 4-Aminotetrafluorobenzoic acid · 4-Carboxy-2,3,5,6-tetrafluoroaniline · 2,3,5,6-Tetrafluoro-4-aminobenzoic acid · 4-Amino-2,3,5,6-tetrafluorobenzoic acid · 4-Amino-2,3,5,6-tetrafluorobenzoicAcid>4-Amino-2,3,5,6-tetrafluorobenzoicacid99% · 4-azanyl-2,3,5,6-tetrafluoro-benzoic acid
Identifikatoren & physikalische Daten
| CAS No. | 944-43-4 |
|---|---|
| Summenformel | C7H3F4NO2 |
| Durchschnittliche Molmasse | 209,1 g/mol |
| Monoisotopische Masse | 209,00999122 g/mol |
| SMILES | Nc1c(F)c(F)c(C(=O)O)c(F)c1F |
| InChIKey | WTNSXWSOTDBWOR-UHFFFAOYSA-N |
| PubChem CID | 70345 |
| EC No. | 213-409-6 |
| DTXSID | DTXSID90241465 |
| Lokaler Name | 4-Amino-2,3,5,6-tetrafluorbenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 224 |
| Schmelzpunkt | 185-187 °C (lit.) |
| Siedepunkt | 283.6±40.0 °C(Predicted) |
| Dichte | 1.726±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to crystalline |
| pKa (Säurekonstante) | 2.32±0.10(Predicted) |
| Farbe | White to Light red to Green |
| Löslichkeit | Insoluble in water. Soluble in methanol (25 mg/ml). |
| BRN | 2121117 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C7H3F4NO2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H,13,14) |
| InChIKey | WTNSXWSOTDBWOR-UHFFFAOYSA-N |
| SMILES | Nc1c(F)c(F)c(C(O)=O)c(F)c1F |
| CAS Datenbank | 944-43-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2922498590 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is used in chemical research and as pharmaceutical intermediate.