HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 21885875Erstellt: 27. Oktober 2026
1-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
1-(difluoromethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid · 3-Pyridinecarboxylic acid, 1-(difluoromethyl)-1,6-dihydro-6-oxo-
https://huagongshe.com/de/chemical/21885875
Identifikatoren & physikalische Daten
| CAS No. | 677761-98-7 |
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| Summenformel | C7H5F2NO3 |
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| Durchschnittliche Molmasse | 189,12 g/mol |
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| SMILES | O=C(O)c1ccc(=O)n(C(F)F)c1 |
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| InChIKey | AZMITOFROYTOFN-UHFFFAOYSA-N |
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| PubChem CID | 21885875 |
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| EC No. | 109-311-7 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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| Polarare Oberfläche (TPSA) | 57,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 309 |
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| Siedepunkt | 321.5±42.0 °C(Predicted) |
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| Dichte | 1.565±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.48±0.50(Predicted) |
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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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