HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Bromopyridin-3-amine
6-BROMOPYRIDIN-3-AMINE · 2-BROMO-5-AMINOPYRIDINE · 3-AMINO-6-BROMOPYRIDINE · 5-BROMO-PYRIDIN-2-YLAMINE · 2-Bromo-5 · AKOS BBS-00004444 · TIMTEC-BB SBB003823 · TIMTEC-BB SBB005540
Identifikatoren & physikalische Daten
| CAS No. | 13534-97-9 |
|---|---|
| Summenformel | C5H5BrN2 |
| Durchschnittliche Molmasse | 173,01 g/mol |
| Monoisotopische Masse | 171,96361026 g/mol |
| SMILES | Nc1ccc(Br)nc1 |
| InChIKey | XTHKRYHULUJQHN-UHFFFAOYSA-N |
| PubChem CID | 642811 |
| EC No. | 628-541-3 |
| DTXSID | DTXSID20349069 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 76,8 |
| Schmelzpunkt | 75 °C |
| Siedepunkt | 180 °C |
| Dichte | 1.6065 (rough estimate) |
| Brechungsindex | 1.5182 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 1.87±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Beige to brown-black |
| BRN | 109102 |
| InChI | InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2 |
| InChIKey | XTHKRYHULUJQHN-UHFFFAOYSA-N |
| SMILES | C1=NC(Br)=CC=C1N |
| CAS Datenbank | 13534-97-9(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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Amino-6-bromopyridine may undergo polymerization via Buchwald–Hartwig amination in the presence of sodium tert-butoxide and XPhos(2-dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl) ligand yielding para-linked and meta-linked polyaminopyridines.