HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 599529Erstellt: 27. Oktober 2026
3-Bromo-5-hydroxypyridine
5-BROMO-3-PYRIDINOL · 5-Bromopyridine-3-ol · 3-Bromo-5-pyridinol · 5-BROMO-PYRIDIN-3-OL · 3-Pyridinol, 5-bromo- · 3-Hydro-5-broMo-pyridin · 3-BROMO-5-HYDROXYPYRIDINE · 5-BROMO-3-HYDROXYPYRIDINE
https://huagongshe.com/de/chemical/599529
Identifikatoren & physikalische Daten
| CAS No. | 74115-13-2 |
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| Summenformel | C5H4BrNO |
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| Durchschnittliche Molmasse | 174 g/mol |
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| Monoisotopische Masse | 172,94763 g/mol |
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| SMILES | Oc1cncc(Br)c1 |
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| InChIKey | VNYBIBSZZDAEOK-UHFFFAOYSA-N |
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| PubChem CID | 599529 |
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| EC No. | 627-764-3 |
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| DTXSID | DTXSID40344793 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 33,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 78 |
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| Schmelzpunkt | 166-170 °C |
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| Siedepunkt | 343.7±22.0 °C(Predicted) |
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| Dichte | 1.788±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Slightly soluble in water. Soluble in chloroform and ethyl acetate. |
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| pKa (Säurekonstante) | 8.37±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White to tan |
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| InChI | InChI=1S/C5H4BrNO/c6-4-1-5(8)3-7-2-4/h1-3,8H |
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| InChIKey | VNYBIBSZZDAEOK-UHFFFAOYSA-N |
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| SMILES | C1=NC=C(Br)C=C1O |
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| CAS Datenbank | 74115-13-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38-22-20/21/22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-37-36-22 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Beschreibung
3-bromo-5-hydroxypyridine is an important industrial raw material widely used in medicine, pesticides, dyes, and other industries. Since the pyridine ring has biological activity and plays an irreplaceable role in synthesising drugs that cannot be replaced by other groups or functional groups, it is a hot area in pharmaceutical research. The hydroxyl and bromine atoms in the structure of 3-bromo-5-hydroxypyridine have diverse chemical reactivity. The alcohol hydroxyl unit in its structure can undergo nucleophilic substitution reactions with common alkyl halides under alkaline conditions to obtain corresponding ether derivatives.
