HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Amino-2-bromopyridine
2-BROMOPYRIDIN-4-AMINE · 2-broMo-5-fluoropyridin-4-aMine · AKOS BBS-00001327 · IFLAB-BB F1371-0175 · 4-Amino-2-bromopyrid · 2-bromo-4-pyridinamin · OTAVA-BB BB7216640154 · 2-BROMO-4-PYRIDYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 7598-35-8 |
|---|---|
| Summenformel | C5H5BrN2 |
| Durchschnittliche Molmasse | 173,01 g/mol |
| Monoisotopische Masse | 171,96361026 g/mol |
| SMILES | Nc1ccnc(Br)c1 |
| InChIKey | GNTGEMWEXKBWBX-UHFFFAOYSA-N |
| PubChem CID | 346455 |
| EC No. | 629-178-3 |
| DTXSID | DTXSID10323696 |
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 | 92-96 °C |
| Siedepunkt | 321.3±22.0 °C(Predicted) |
| Dichte | 1.710±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 4.89±0.30(Predicted) |
| Aggregatzustand | Crystalline Powder or Powder |
| Farbe | White to pale brown to orange |
| Löslichkeit | Slightly soluble in water. |
| BRN | 108928 |
| InChI | InChI=1S/C5H5BrN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8) |
| InChIKey | GNTGEMWEXKBWBX-UHFFFAOYSA-N |
| SMILES | C1(Br)=NC=CC(N)=C1 |
| CAS Datenbank | 7598-35-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 22-37/38-41-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Harmful/Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-36/37/38-36-36/37 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Amino-2-bromopyridine is used as medical intermediate.