HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4'-Bromo-3'-fluoroacetanilide
SKL787 · 3-Fluoro-4-bromoacetanilide · 4'-Bromo-3'-fluoroacetanlide · 4'-BROMO-3'-FLUOROACETANILIDE · Pigment Red 3 (Toluidine Red) · N-(4-Bromo-3-fluorophenyl)acetamide · 4'-Bromo-3'-fluoroacetanilide, 98+% · Acetamide, N-(4-bromo-3-fluorophenyl)-
Identifikatoren & physikalische Daten
| CAS No. | 351-30-4 |
|---|---|
| Summenformel | C8H7BrFNO |
| Durchschnittliche Molmasse | 232,05 g/mol |
| Monoisotopische Masse | 230,96950416 g/mol |
| SMILES | CC(=O)Nc1ccc(Br)c(F)c1 |
| InChIKey | GAQUWJRFYLETKX-UHFFFAOYSA-N |
| PubChem CID | 2773316 |
| EC No. | 609-068-1 |
| DTXSID | DTXSID90378366 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 176 |
| Schmelzpunkt | 149-152°C |
| Siedepunkt | 337.9±32.0 °C(Predicted) |
| Dichte | 1.623±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Storage temp. 2-8°C |
| pKa (Säurekonstante) | 13.46±0.70(Predicted) |
| Aggregatzustand | powder |
| Farbe | White to off-white |
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2924297099 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-36/37/39 |
Anwendungen & Verwendung
Verwenden
4'-Bromo-3'-fluoroacetanilide is a halogenated acetanilide that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.