HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromo-2-hydroxypyridine
3-bromo-1,2-dihydropyridin-2-one · 3-BROMO-2-PYRIDONE · 3-BROMO-2-PYRIDINOL · IFLAB-BB F1371-0174 · 3-BROMO-PYRIDIN-2-OL · 3-Bromo-2(1H)-pyridone · 3-bromo pyridin-2H -one · 3-BROMO-2(1H)-PYRIDINONE
Identifikatoren & physikalische Daten
| CAS No. | 13466-43-8 |
|---|---|
| Summenformel | C5H4BrNO |
| Durchschnittliche Molmasse | 174 g/mol |
| Monoisotopische Masse | 172,94762585 g/mol |
| SMILES | O=c1[nH]cccc1Br |
| InChIKey | YDUGVOUXNSWQSW-UHFFFAOYSA-N |
| PubChem CID | 818549 |
| EC No. | 626-942-8 |
| DTXSID | DTXSID30355959 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 171 |
| Schmelzpunkt | 179-183 °C |
| Siedepunkt | 336.6±42.0 °C(Predicted) |
| Dichte | 1.776±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 10.53±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| Löslichkeit | Slightly soluble in water. |
| BRN | 109846 |
| InChI | InChI=1S/C5H4BrNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8) |
| InChIKey | YDUGVOUXNSWQSW-UHFFFAOYSA-N |
| SMILES | C1(=O)NC=CC=C1Br |
| CAS Datenbank | 13466-43-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (89.1%): 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 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 (89.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29337900 |
| R-Sätze (R) | 36/37/38-41-37/38-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Bromo-2-hydroxypyridine is used in the synthesis of pyrazolopyridines as γ-secratase modulators.