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HCID 25975Erstellt: 26. Oktober 2026
Dichloroacetate anion
dichloroacetate ion · Dichloroacetate anion · ACETICACID,DICHLORO-,ION(1-)
https://huagongshe.com/de/chemical/25975
Identifikatoren & physikalische Daten
| CAS No. | 13425-80-4 |
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| Summenformel | C2HCl2O2- |
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| Durchschnittliche Molmasse | 127,93 g/mol |
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| Monoisotopische Masse | 126,93590821 g/mol |
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| SMILES | O=C([O-])C(Cl)Cl |
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| InChIKey | JXTHNDFMNIQAHM-UHFFFAOYSA-M |
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| PubChem CID | 25975 |
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| ChEBI | CHEBI:28240 |
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| DTXSID | DTXSID40158610 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 40,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 6 |
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| Formalladung | -1 |
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| Komplexität | 55,1 |
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Sicherheit & Vorschriften
| Gesundheitliche Auswirkungen | Multiple independent studies demonstrate that DCA has the ability to alter normal carbohydrate metabolism. Dichloroacetic acid treatment results in a significant reduction in plasma levels of glucose, pyruvate, and lactate. Another consistent finding in DCA ingestion studies is a dose-related increase in liver size, generally accompanied (or caused) by an increase in glycogen deposition in the liver. There is an extensive and consistent data base demonstrating the reproductive toxicity of DCA in males and females. Neurologic symptoms and morphologic changes in the nervous system have been reported in humans, dogs, and rats. (L2086) |
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| Expositionspfade | Ingestion |
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| Toxizitätsübersicht | The dichloroacetate ion stimulates the activity of the enzyme pyruvate dehydrogenase by inhibiting the enzyme pyruvate dehydrogenase kinase. Thus, it decreases lactate production by shifting the metabolism of pyruvate from fermentation towards oxidation in the mitochondria. (Wikipedia) |
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| Carcinogen Classification | 2B, possibly carcinogenic to humans. (L135) |
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| Toxicity Data | ORAL (LD50): Acute: 2820 mg/kg [Rat]DERMAL (LD50): Acute: 510 mg/kg [Rabbit] |
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