HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 68401Erstellt: 26. Oktober 2026
1H-Pyrimidin-2-on
PYRIMIDIN-2-OL · Pyrimidin-2(1H)-one · 2(1h)-pyrimidinone · 2-Pyrimidone · 2-Pyrimidinol · Pyrimidin-2(5H)-one · 4-Deoxyuracil · 2-OXOPYRIMIDINE
https://huagongshe.com/de/chemical/68401
Identifikatoren & physikalische Daten
| CAS No. | 51953-13-0 |
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| Summenformel | C4H4N2O |
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| Durchschnittliche Molmasse | 96,09 g/mol |
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| Monoisotopische Masse | 96,03236275 g/mol |
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| SMILES | O=c1nccc[nH]1 |
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| InChIKey | VTGOHKSTWXHQJK-UHFFFAOYSA-N |
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| PubChem CID | 68401 |
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| ChEMBL | CHEMBL1650607 |
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| ChEBI | CHEBI:53577 |
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| EC No. | 209-149-8 |
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| DTXSID | DTXSID4060315 |
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| Lokaler Name | 1H-Pyrimidin-2-on |
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Chemische & physikalische Eigenschaften
| XLogP | -1,8 |
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| Polarare Oberfläche (TPSA) | 41,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 137 |
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| LogP (Verteilungskoeffizient) | -1.62 |
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| Schmelzpunkt | 177-178 °C(Solv: ethyl acetate (141-78-6)) |
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| Dichte | 1.28±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | pK1:2.24(+1)pK2:9.17(0) (25°C) |
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| InChI | InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7) |
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| InChIKey | VTGOHKSTWXHQJK-UHFFFAOYSA-N |
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| SMILES | C1(=O)NC=CC=N1 |
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| CAS Datenbank | 557-01-7(CAS DataBase Reference) |
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| NIST chemische Informationen | 2(1H)-Pyrimidinone(557-01-7) |
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| EPA chemische Informationen | 2(1H)-Pyrimidinone (557-01-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 2(1H)-Pyrimidinone |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| TSCA-Inventar-Status | TSCA listed |
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| R-Sätze (R) | 36/37/38-40 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 22-26-36 |
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