HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 583549Erstellt: 26. Oktober 2026
Ethyl 3-(4-fluorophenyl)-1h-pyrazole-5-carboxylate
ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate · Ethyl 3-(4-Fluorophenyl)-1h-pyrazole-5-carboxylic acid · 3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylic acid ethyl ester · 5-(4-Fluoro-phenyl)-2H-pyrazole-3-carboxylic acid ethyl ester · ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate - [AC78675] · 1H-Pyrazole-3-carboxylic acid, 5-(4-fluorophenyl)-, ethyl ester
https://huagongshe.com/de/chemical/583549
Identifikatoren & physikalische Daten
| CAS No. | 866588-11-6 |
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| Summenformel | C12H11FN2O2 |
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| Durchschnittliche Molmasse | 234,23 g/mol |
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| Monoisotopische Masse | 234,08045581 g/mol |
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| SMILES | CCOC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 |
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| InChIKey | XYKNUKFAXFVJRH-UHFFFAOYSA-N |
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| PubChem CID | 583549 |
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| EC No. | 675-549-8 |
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| DTXSID | DTXSID70342646 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 55 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 267 |
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| Schmelzpunkt | 188-189 °C |
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| Siedepunkt | 424.2±35.0 °C(Predicted) |
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| Dichte | 1.266±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 10.08±0.10(Predicted) |
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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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| Zollcode | 2933199090 |
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