HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 7204870Erstellt: 27. Oktober 2026
5-Bromo-2-hydroxypyridine-3-carbonitrile
5-bromo-2-hydroxynicotino... · 5-Bromo-3-cyano-2(1H)-pyridinone · 5-BROMO-2-HYDROXYNICOTINONITRILE · 5-BROMO-3-CAYNO-2(1H)-PYRIDINONE · 5-BROMO-3-CYANO-2-HYDROXYPYRIDINE · 5-Bromo-2-hydroxynicotinonitrile98% · 5-Bromo-2-hydroxynicotinonitrile 98% · 5-Bromo-3-cyano-2-hydroxypyridine 98%
https://huagongshe.com/de/chemical/7204870
Identifikatoren & physikalische Daten
| CAS No. | 405224-22-8 |
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| Summenformel | C6H3BrN2O |
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| Durchschnittliche Molmasse | 199 g/mol |
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| Monoisotopische Masse | 197,94287482 g/mol |
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| SMILES | N#Cc1cc(Br)c[nH]c1=O |
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| InChIKey | SWTLLSLCDHXNIU-UHFFFAOYSA-N |
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| PubChem CID | 7204870 |
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| EC No. | 800-559-8 |
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| DTXSID | DTXSID10428392 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 52,9 |
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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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 281 |
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| Schmelzpunkt | 219-221 |
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| Siedepunkt | 292.1±40.0 °C(Predicted) |
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| Dichte | 1.84±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 6.87±0.10(Predicted) |
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| Farbe | Beige |
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| InChI | InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,(H,9,10) |
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| InChIKey | SWTLLSLCDHXNIU-UHFFFAOYSA-N |
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| SMILES | C1(=O)NC=C(Br)C=C1C#N |
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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, 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 4 reports by companies from 4 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 (100%) |
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| Zollcode | 2933399990 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant/Keep Cold |
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| Gefahrenklasse | IRRITANT |
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