HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 43348636Erstellt: 4. November 2026
2-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetic acid
https://huagongshe.com/de/chemical/43348636
Identifikatoren & physikalische Daten
| CAS No. | 1097785-66-4 |
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| Summenformel | C11H7ClF3N3O3 |
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| Durchschnittliche Molmasse | 321,64 g/mol |
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| Monoisotopische Masse | 321,0128033 g/mol |
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| SMILES | O=C(O)CC1=NN(c2ncc(C(F)(F)F)cc2Cl)C(=O)C1 |
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| InChIKey | TVHIZACBZFKAKL-UHFFFAOYSA-N |
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| PubChem CID | 43348636 |
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| EC No. | 856-997-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 82,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 483 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)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%) |
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![Molekülstruktur von 2-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetic acid](/img/chemical/43348636.png)