HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 599528Erstellt: 23. Oktober 2026
5-Bromo-2-hydroxypyridine
5-BROMOPYRIDIN-2-OL · 5-BROMO-2(1H)-PYRIDONE · 5-BROMO-2-HYDROXYPYRIDINE · 5-BROMO-2-PYRIDONE · 5-BROMO-2-PYRIDINOL · 5-Bromopyridin-2-one · 5-BroMo-1H-pyridin-2-one · 5-BROMO-2(1H)-PYRIDINONE
https://huagongshe.com/de/chemical/599528
Identifikatoren & physikalische Daten
| CAS No. | 13466-38-1 |
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| Summenformel | C5H4BrNO |
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| Durchschnittliche Molmasse | 174 g/mol |
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| Monoisotopische Masse | 172,94762585 g/mol |
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| SMILES | O=c1ccc(Br)c[nH]1 |
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| InChIKey | NDMZZQRNZFWMEZ-UHFFFAOYSA-N |
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| PubChem CID | 599528 |
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| ChEMBL | CHEMBL1362250 |
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| EC No. | 629-311-5 |
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| DTXSID | DTXSID80344792 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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| Polarare Oberfläche (TPSA) | 29,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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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 | 171 |
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| Schmelzpunkt | 180-183 °C(lit.) |
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| Siedepunkt | 305.9±42.0 °C(Predicted) |
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| Dichte | 1.776±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (Säurekonstante) | 9.96±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Off-white to yellow-brown |
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| BRN | 108751 |
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| InChI | InChI=1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8) |
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| InChIKey | NDMZZQRNZFWMEZ-UHFFFAOYSA-N |
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| SMILES | C1(=O)NC=C(Br)C=C1 |
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| CAS Datenbank | 13466-38-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (85.7%): 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)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (85.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38-36-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-37/39-36 |
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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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