HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 820423Erstellt: 23. Oktober 2026
3-Acetyl-5-bromopyridine
1-(5-BROMOPYRIDIN-3-YL)ETHANONE · 5-Acetyl-3-bromopyridine · 3-BROMO-5-ACETYLPYRIDINE · 5-Bromo-3-acetylpyridine · 3-Acetyl-5-bromopyridine · 3-Acetyl-5-bromopyridine,97% · 3-Acetyl-5-bromopyridine >1-(5-Bromo-3-pyridyl)ethanone · 1-(5-bromo-3-pyridinyl)ethanone
https://huagongshe.com/de/chemical/820423
Identifikatoren & physikalische Daten
| CAS No. | 38940-62-4 |
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| Summenformel | C7H6BrNO |
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| Durchschnittliche Molmasse | 200,03 g/mol |
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| Monoisotopische Masse | 198,96327591 g/mol |
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| SMILES | CC(=O)c1cncc(Br)c1 |
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| InChIKey | LDBPZEQZCOUYFT-UHFFFAOYSA-N |
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| PubChem CID | 820423 |
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| EC No. | 623-602-0 |
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| DTXSID | DTXSID10356207 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 30 |
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| H-Brücken-Donoren | 0 |
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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 | 138 |
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| Schmelzpunkt | 77-79°C |
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| Siedepunkt | 279.3±25.0 °C(Predicted) |
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| Dichte | 1.534±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 1.08±0.20(Predicted) |
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| Farbe | White to Light yellow |
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| BRN | 112808 |
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| InChI | 1S/C7H6BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3 |
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| InChIKey | LDBPZEQZCOUYFT-UHFFFAOYSA-N |
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| SMILES | CC(=O)c1cncc(Br)c1 |
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| CAS Datenbank | 38940-62-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (89.1%): 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 46 reports by companies from 5 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 (89.1%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29333990 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-36/37-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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