HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 822987Erstellt: 27. Oktober 2026
1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-one
4-Acetyl-1-phenyl-1H-pyrazole · 1-(1-phenyl-1h-pyrazole-4-yl)ethanone · Ethanone, 1-(1-phenyl-1H-pyrazol-4-yl)- · 1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-one · 1-(1-phenyl-1H-pyrazol-4-yl)ethanone(SALTDATA: FREE)
https://huagongshe.com/de/chemical/822987
Identifikatoren & physikalische Daten
| CAS No. | 3968-40-9 |
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| Summenformel | C11H10N2O |
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| Durchschnittliche Molmasse | 186,21 g/mol |
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| Monoisotopische Masse | 186,07931295 g/mol |
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| SMILES | CC(=O)c1cnn(-c2ccccc2)c1 |
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| InChIKey | ZZLLGMSBHKIMHK-UHFFFAOYSA-N |
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| PubChem CID | 822987 |
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| EC No. | 982-769-0 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 34,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 211 |
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| Schmelzpunkt | 129 °C |
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| Siedepunkt | 155-160 °C(Press: 5 Torr) |
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| Dichte | 1.13±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | -3.09±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Zollcode | 2933199090 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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