HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 453092Erstellt: 2. November 2026
1,3-Dimethyl-5-formyluracil
1,3-Dimethyl-5-formyluracil · 1,3-Dimethyluracil-5-carboxaldehyde · 1,3-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde · 1,3-dimethyl-2,4-dioxo-pyrimidine-5-carbaldehyde · 2,4-diketo-1,3-dimethyl-pyrimidine-5-carbaldehyde · 1,2,3,4-tetrahydro-1,3-diMethyl-2,4-dioxopyriMidine-5-carbaldehyde · 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinecarboxaldehyde · 5-Pyrimidinecarboxaldehyde, 1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-
https://huagongshe.com/de/chemical/453092
Identifikatoren & physikalische Daten
| CAS No. | 4869-46-9 |
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| Summenformel | C7H8N2O3 |
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| Durchschnittliche Molmasse | 168,15 g/mol |
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| Monoisotopische Masse | 168,05349212 g/mol |
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| SMILES | Cn1cc(C=O)c(=O)n(C)c1=O |
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| InChIKey | KGJFRZOATIXYPW-UHFFFAOYSA-N |
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| PubChem CID | 453092 |
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| EC No. | 676-471-7 |
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| DTXSID | DTXSID20197582 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
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| Polarare Oberfläche (TPSA) | 57,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 282 |
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| Schmelzpunkt | 122-124 °C(Solv: ligroine (8032-32-4)) |
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| Siedepunkt | 274.1±50.0 °C(Predicted) |
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| Dichte | 1.408±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | -3.06±0.40(Predicted) |
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| InChI | InChI=1S/C7H8N2O3/c1-8-3-5(4-10)6(11)9(2)7(8)12/h3-4H,1-2H3 |
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| InChIKey | KGJFRZOATIXYPW-UHFFFAOYSA-N |
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| SMILES | C1(=O)N(C)C=C(C=O)C(=O)N1C |
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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)Aggregated GHS information provided per 5 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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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