HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromo-5-fluoropyridine
3-Br · uoropyridine · 3-Bromo-5-fL · 3-bromo-5-fluoropyridin · 3-BROMO-5-FLUOROPYRIDINE · 5-BROMO-3-FLUOROPYRIDINE · 5-Fluoro-3-bromopyridine · Pyridine, 3-bromo-5-fluoro-
Identifikatoren & physikalische Daten
| CAS No. | 407-20-5 |
|---|---|
| Summenformel | C5H3BrFN |
| Durchschnittliche Molmasse | 175,99 g/mol |
| Monoisotopische Masse | 174,94328942 g/mol |
| SMILES | Fc1cncc(Br)c1 |
| InChIKey | HNNNBQRRIHKFLI-UHFFFAOYSA-N |
| PubChem CID | 820206 |
| EC No. | 627-401-9 |
| DTXSID | DTXSID80356173 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 78,8 |
| Schmelzpunkt | 24-28 °C |
| Siedepunkt | 78 °C / 11mmHg |
| Dichte | 1.707±0.06 g/cm3(Predicted) |
| Flammpunkt | 148 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 0.45±0.20(Predicted) |
| Aggregatzustand | Low Melting Solid or Liquid |
| Farbe | Colorless to white |
| InChI | InChI=1S/C5H3BrFN/c6-4-1-5(7)3-8-2-4/h1-3H |
| InChIKey | HNNNBQRRIHKFLI-UHFFFAOYSA-N |
| SMILES | C1=NC=C(F)C=C1Br |
| CAS Datenbank | 407-20-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]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, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29333990 |
| R-Sätze (R) | 22-37/38-41-36/37/38-20/21/22-10 |
| Gefahrensymbole | Xn,Xi,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-39-36-16 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Bromo-5-fluoropyridine reacts with silylformamidine to afford aminals[3]. It serves as a starting material for the synthesis of 3-(benzylthio)-5-bromopyridine[4].