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HCID 142184Erstellt: 27. Oktober 2026
diethyl 1H-pyrazole-3,5-dicarboxylate
1H-PYRAZOLE-3,5-DICARBOXYLIC ACID DIETHYL ESTER · NSC 97126 · LABOTEST-BB LT00441143 · Diethyl 3,5-pyrazoledicarboxyla · DIETHYL 3,5-PYRAZOLEDICARBOXYLATE · Diethyl 3,5-Pyrozoledicarboxylate · DIETHYL PYRAZOLE-3,5-DICARBOXYLATE · 3,5-(Diethoxycarbonyl)-1H-pyrazole
https://huagongshe.com/de/chemical/142184
Identifikatoren & physikalische Daten
| CAS No. | 37687-24-4 |
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| Summenformel | C9H12N2O4 |
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| Durchschnittliche Molmasse | 212,2 g/mol |
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| Monoisotopische Masse | 212,07970686 g/mol |
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| SMILES | CCOC(=O)c1cc(C(=O)OCC)[nH]n1 |
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| InChIKey | MBWXLICVQZUJOW-UHFFFAOYSA-N |
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| PubChem CID | 142184 |
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| EC No. | 609-467-0 |
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| DTXSID | DTXSID00191124 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 81,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 244 |
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| Schmelzpunkt | 55-58 °C(lit.) |
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| Siedepunkt | 352.03°C (rough estimate) |
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| Dichte | 1.249 |
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| Brechungsindex | 1.5373 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| pKa (Säurekonstante) | 8.08±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White to light yellow |
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| InChI | InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11) |
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| InChIKey | MBWXLICVQZUJOW-UHFFFAOYSA-N |
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| SMILES | N1C(C(OCC)=O)=CC(C(OCC)=O)=N1 |
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| CAS Datenbank | 37687-24-4(CAS DataBase Reference) |
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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 42 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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29331990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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