HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 74343Erstellt: 27. Oktober 2026
1-(4-Pyridinyl)-1-propanone
NSC 31619 · 4-propionyl- · ethyl 4-pyridyl · 1-(Pyridin-4-yl) · 4-PROPIONYLPYRIDINE · ethyl4-pyridylketone · ketone,ethyl4-pyridyl · 4-PYRIDYL ETHYL KETONE
https://huagongshe.com/de/chemical/74343
Identifikatoren & physikalische Daten
| CAS No. | 1701-69-5 |
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| Summenformel | C8H9NO |
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| Durchschnittliche Molmasse | 135,16 g/mol |
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| Monoisotopische Masse | 135,06841391 g/mol |
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| SMILES | CCC(=O)c1ccncc1 |
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| InChIKey | AFHFHXVRHACYSR-UHFFFAOYSA-N |
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| PubChem CID | 74343 |
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| ChEMBL | CHEMBL2251614 |
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| EC No. | 681-037-5 |
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| DTXSID | DTXSID00168795 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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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 | 2 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 116 |
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| LogP (Verteilungskoeffizient) | 0.77 |
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| Siedepunkt | 89-90°C 2mm |
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| Dichte | 1.034 |
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| Brechungsindex | 1.5220 |
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| Flammpunkt | 89-90°C/2mm |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| pKa (Säurekonstante) | 2.75±0.26(Predicted) |
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| BRN | 111366 |
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| CAS Datenbank | 1701-69-5 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (33.3%): 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 6 reports by companies from 2 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 (33.3%) |
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| RTECS-Nr. | UC3800000 |
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| R-Sätze (R) | 22-37/38-41 |
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| Toxizität | mouse,LD50,intraperitoneal,680mg/kg (680mg/kg),Journal of Medicinal Chemistry. Vol. 14, Pg. 551, 1971. |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 24/25-39-26 |
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