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HCID 85147Erstellt: 26. Oktober 2026
5-Brom-3-nitro-2-pyridon
5-BROMO-3-NITROPYRIDIN-2-OL · 2-Hydroxy-5-Bromo-3-NitroPyridine · B217 · BUTTPARK 43\57-80 · 5-bromo-3-nitro-2-pyridone · 5-BROMO-3-NITRO-2-PYRIDINOL · 5-Bromo-3-Nitropyridine-2-Ol · 5-BroMo-3-nitro-1H-pyridi...
https://huagongshe.com/de/chemical/85147
Identifikatoren & physikalische Daten
| CAS No. | 15862-34-7 |
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| Summenformel | C5H3BrN2O3 |
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| Durchschnittliche Molmasse | 218,99 g/mol |
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| Monoisotopische Masse | 217,93270406 g/mol |
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| SMILES | O=c1[nH]cc(Br)cc1[N+](=O)[O-] |
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| InChIKey | WXRLCVUDLFFTFF-UHFFFAOYSA-N |
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| PubChem CID | 85147 |
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| EC No. | 239-989-0 |
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| DTXSID | DTXSID30166481 |
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| Lokaler Name | 5-Brom-3-nitro-2-pyridon |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 74,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 276 |
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| Schmelzpunkt | 246-250 °C |
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| Siedepunkt | 296.7±40.0 °C(Predicted) |
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| Dichte | 1.98±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | DMSO, Methanol |
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| pKa (Säurekonstante) | 6.31±0.10(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | Yellow |
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| BRN | 383853 |
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| InChI | InChI=1S/C5H3BrN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9) |
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| InChIKey | WXRLCVUDLFFTFF-UHFFFAOYSA-N |
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| SMILES | C1(=O)NC=C(Br)C=C1[N+]([O-])=O |
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| CAS Datenbank | 15862-34-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (85.1%): 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 47 reports by companies from 7 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 (85.1%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 2811 |
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| Zollcode | 29337900 |
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| R-Sätze (R) | 22-37/38-41-36/37/38-20 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 26-36/37/39-36 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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