HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 1808Erstellt: 26. Oktober 2026
5-Bromonicotinamide
AKOS BBS-00003123 · 5-Brominicinamide · BUTTPARK 146\04-27 · 5-BROMONICOTINAMIDE · IFLAB-BB F2124-0064 · 5-Bromonicatinamide · 5-bromo-nicotinamid · Hybutimibe Impurity 3
https://huagongshe.com/de/chemical/1808
Identifikatoren & physikalische Daten
| CAS No. | 28733-43-9 |
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| Summenformel | C6H5BrN2O |
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| Durchschnittliche Molmasse | 201,02 g/mol |
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| Monoisotopische Masse | 199,95852488 g/mol |
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| SMILES | NC(=O)c1cncc(Br)c1 |
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| InChIKey | YOQRXZIMSKLRCY-UHFFFAOYSA-N |
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| PubChem CID | 1808 |
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| EC No. | 626-875-4 |
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| DTXSID | DTXSID00182890 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 56 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 140 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Schmelzpunkt | 219-223 °C |
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| Siedepunkt | 315.5±27.0 °C(Predicted) |
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| Dichte | 1.710±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | Powder |
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| pKa (Säurekonstante) | 14.21±0.50(Predicted) |
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| Farbe | Off-white to light pink |
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| InChI | InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10) |
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| InChIKey | YOQRXZIMSKLRCY-UHFFFAOYSA-N |
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| SMILES | C1=NC=C(Br)C=C1C(N)=O |
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| CAS Datenbank | 28733-43-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (90.9%): 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 44 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 (90.9%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29333990 |
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| RTECS-Nr. | QS4170000 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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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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