HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 138577Erstellt: 27. Oktober 2026
1,5-Dimethyl-3-ethoxycarbonylpyrazole
AKOS B006684 · 1,5-DimethyL · AKOS PAO-0796 · BUTTPARK 90\11-93 · VITAS-BB TBB000644 · ART-CHEM-BB B006684 · Ethyl 1,5-diMethyl-1H-pyr... · 1,5-dimethyl-3-ethoxycarbonylpyrazole
https://huagongshe.com/de/chemical/138577
Identifikatoren & physikalische Daten
| CAS No. | 5744-51-4 |
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| Summenformel | C8H12N2O2 |
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| Durchschnittliche Molmasse | 168,19 g/mol |
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| Monoisotopische Masse | 168,08987762 g/mol |
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| SMILES | CCOC(=O)c1cc(C)n(C)n1 |
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| InChIKey | OJPXVXXMBWKEAT-UHFFFAOYSA-N |
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| PubChem CID | 138577 |
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| EC No. | 660-934-5 |
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| DTXSID | DTXSID50206055 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 44,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 172 |
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| Schmelzpunkt | 39-41°C |
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| Siedepunkt | 154°C 10mm |
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| Dichte | 1.12±0.1 g/cm3 (20 ºC 760 Torr) |
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| Flammpunkt | 110.3±21.8℃ |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 0.54±0.10(Predicted) |
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| Farbe | Light orange to Yellow to Green |
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| InChI | InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)10(3)9-7/h5H,4H2,1-3H3 |
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| InChIKey | OJPXVXXMBWKEAT-UHFFFAOYSA-N |
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| SMILES | N1(C)C(C)=CC(C(OCC)=O)=N1 |
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| CAS Datenbank | 5744-51-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29331990 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
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| Lagerklasse | 11 - Combustible Solids |
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