| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 03:50:19 UTC |
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| Update Date | 2016-11-09 01:14:31 UTC |
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| Accession Number | CHEM012138 |
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| Identification |
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| Common Name | Acetic acid, 2,2-difluoro- |
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| Class | Small Molecule |
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| Description | A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by fluorines. |
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| Contaminant Sources | - HPV EPA Chemicals
- STOFF IDENT Compounds
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| DFA | ChEBI | | Difluoressigsaeure | ChEBI | | Difluoroacetate | Generator | | 2,2-Difluoroacetate | Generator | | Difluoroacetic acid, 2-(14)C-labeled | MeSH | | Difluoroacetic acid, copper (+1) salt | MeSH | | Difluoroacetic acid, silver (+1) salt | MeSH | | Difluoroacetic acid, copper (+2) salt | MeSH | | Difluoroacetic acid, lead (+4) salt | MeSH | | Difluoroacetic acid, sodium salt | MeSH | | Sodium difluoroacetate | MeSH | | Difluoroacetic acid | MeSH | | Difluoroacetic acid, ammonium salt | MeSH |
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| Chemical Formula | C2H2F2O2 |
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| Average Molecular Mass | 96.033 g/mol |
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| Monoisotopic Mass | 96.002 g/mol |
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| CAS Registry Number | 381-73-7 |
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| IUPAC Name | 2,2-difluoroacetic acid |
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| Traditional Name | difluoroacetic acid |
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| SMILES | OC(=O)C(F)F |
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| InChI Identifier | InChI=1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6) |
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| InChI Key | PBWZKZYHONABLN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Alpha-halocarboxylic acids and derivatives |
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| Direct Parent | Alpha-halocarboxylic acids |
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| Alternative Parents | |
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| Substituents | - Alpha-halocarboxylic acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organofluoride
- Organohalogen compound
- Carbonyl group
- Alkyl halide
- Alkyl fluoride
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-9000000000-a21a0d605398039b51cd | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9000000000-9b0d1362fbfce4b18808 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0fbc-9000000000-2ab425c5e326aa6efbcc | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-9000000000-f5b5c8b0c08b47871011 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9000000000-e29406fa82ca7a1aa919 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-466ab6ccfe185904e27c | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Difluoroacetic acid |
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| Chemspider ID | Not Available |
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| ChEBI ID | 23716 |
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| PubChem Compound ID | 9788 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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