HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(3-Bromopyridin-2-yl)methanol
3-Bromo-2-hydroxymethylpyridine · 3-Bromopyridine-2-methanol · 3-BroMo-2-pyridineMethanol · (3-bromo-2-pyridyl)methanol · 2-PyridineMethanol, 3-broMo- · (3-bromopyridin-2-yl)methanol · 2-Hydroxymethyl-3-bromopyridine · 3-Bromo pyridine-2-yl) methanol
Identifikatoren & physikalische Daten
| CAS No. | 52378-64-0 |
|---|---|
| Summenformel | C6H6BrNO |
| Durchschnittliche Molmasse | 188,02 g/mol |
| Monoisotopische Masse | 186,96327591 g/mol |
| SMILES | OCc1ncccc1Br |
| InChIKey | FTTLCYCJDYIEFO-UHFFFAOYSA-N |
| PubChem CID | 14022521 |
| EC No. | 892-807-7 |
| DTXSID | DTXSID20554434 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 89,1 |
| Siedepunkt | 260.9±25.0 °C(Predicted) |
| Dichte | 1.668±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 12.75±0.10(Predicted) |
| InChI | InChI=1S/C6H6BrNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2 |
| InChIKey | FTTLCYCJDYIEFO-UHFFFAOYSA-N |
| SMILES | C1(CO)=NC=CC=C1Br |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| UN-Transportnummer | UN2811 |
| Zollcode | 2933399990 |
Anwendungen & Verwendung
Beschreibung
(3-bromopyridin-2-yl)methanol is a heterocyclic compound containing hydroxymethyl and bromine functional groups. It is primarily used as a synthetic intermediate. This compound can participate in electrophilic substitution, cross-coupling and redox reactions to construct complex bioactive molecules. The bromine atom at the 3-position is an excellent reaction site for the introduction of aryl, alkenyl or alkynyl groups via the Suzuki–Miyaura coupling reaction.