HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 698388Erstellt: 26. Oktober 2026
5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
5-Methyl-1-phenyl-1H-pyrazol-3-carboxylic acid · 1H-Pyrazole-3-carboxylicacid, 5-Methyl-1-phenyl-
https://huagongshe.com/de/chemical/698388
Identifikatoren & physikalische Daten
| CAS No. | 10199-57-2 |
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| Summenformel | C11H10N2O2 |
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| Durchschnittliche Molmasse | 202,21 g/mol |
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| Monoisotopische Masse | 202,07422756 g/mol |
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| SMILES | Cc1cc(C(=O)O)nn1-c1ccccc1 |
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| InChIKey | JAUNWUAOFPNAKK-UHFFFAOYSA-N |
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| PubChem CID | 698388 |
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| ChEMBL | CHEMBL3960344 |
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| EC No. | 674-729-3 |
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| DTXSID | DTXSID80351360 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 55,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 239 |
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| Schmelzpunkt | 132°C |
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| Siedepunkt | 385.4±22.0 °C(Predicted) |
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| Dichte | 1.24±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 3.99±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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