HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 227598Erstellt: 27. Oktober 2026
ethyl 3-methyl-1H-pyrazole-4-carboxylate
NSC 19454 · Ethyl 3-Methylpyrazole-4-carboxylate · 3-methylpyrazole-4-ethyl formate · Ethyl5-methylpyrazole-4-carboxylate · Ethyl 3-methyl-1H-pyrazol-4-carboxylate · ethyl-3-methyl-1H-pyrazole-4-carboxylate · ETHYL 3-METHYL-2H-PYRAZOLE-4-CARBOXYLATE · 3-Methyl-1H-pyrazol-4-carboxylic acid ethyl ester
https://huagongshe.com/de/chemical/227598
Identifikatoren & physikalische Daten
| CAS No. | 85290-78-4 |
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| Summenformel | C7H10N2O2 |
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| Durchschnittliche Molmasse | 154,17 g/mol |
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| Monoisotopische Masse | 154,07422756 g/mol |
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| SMILES | CCOC(=O)c1cn[nH]c1C |
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| InChIKey | HHYVTIKYZUMDIL-UHFFFAOYSA-N |
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| PubChem CID | 227598 |
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| EC No. | 839-637-1 |
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| DTXSID | DTXSID101005779 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
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| Polarare Oberfläche (TPSA) | 55 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 149 |
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| Schmelzpunkt | 49-52°C |
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| Siedepunkt | 280.6±20.0 °C(Predicted) |
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| Dichte | 1.171±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
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| Löslichkeit | soluble in Chloroform, Methanol |
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| pKa (Säurekonstante) | 12.26±0.50(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | Light yellow to yellow |
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| InChI | InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-9-5(6)2/h4H,3H2,1-2H3,(H,8,9) |
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| InChIKey | HHYVTIKYZUMDIL-UHFFFAOYSA-N |
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| SMILES | N1C=C(C(OCC)=O)C(C)=N1 |
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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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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933119000 |
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| Lagerklasse | 11 - Combustible Solids |
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