Dichloroacetate (CHEM104283)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 15:22:42 UTC | ||||||||
| Update Date | 2026-04-05 15:22:42 UTC | ||||||||
| Accession Number | CHEM104283 | ||||||||
| Identification | |||||||||
| Common Name | Dichloroacetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Dichloroacetate belongs to the alpha-halocarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C2HCl2O2 and an average molecular weight of 127.93 g/mol. This compound is classified under the superclass of organic acids and derivatives. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C2HCl2O2 | ||||||||
| Average Molecular Mass | 127.930 g/mol | ||||||||
| Monoisotopic Mass | 126.936 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Dichloroacetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [O-]C(=O)C(Cl)Cl | ||||||||
| InChI Identifier | InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1 | ||||||||
| InChI Key | JXTHNDFMNIQAHM-UHFFFAOYSA-M | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
