| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 03:55:37 UTC |
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| Update Date | 2016-11-09 01:14:34 UTC |
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| Accession Number | CHEM012431 |
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| Identification |
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| Common Name | Ethanesulfonic acid, 1,1,2,2-tetrafluoro- |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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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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| 1,1,2,2-Tetrafluoroethane-1-sulfonate | Generator | | 1,1,2,2-Tetrafluoroethane-1-sulphonate | Generator | | 1,1,2,2-Tetrafluoroethane-1-sulphonic acid | Generator | | 1,1,2,2-Tetrafluoroethanesulfonate | Generator | | 1,1,2,2-Tetrafluoroethanesulphonate | Generator | | 1,1,2,2-Tetrafluoroethanesulphonic acid | Generator |
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| Chemical Formula | C2H2F4O3S |
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| Average Molecular Mass | 182.090 g/mol |
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| Monoisotopic Mass | 181.966 g/mol |
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| CAS Registry Number | 464-14-2 |
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| IUPAC Name | 1,1,2,2-tetrafluoroethane-1-sulfonic acid |
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| Traditional Name | 1,1,2,2-tetrafluoroethanesulfonic acid |
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| SMILES | OS(=O)(=O)C(F)(F)C(F)F |
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| InChI Identifier | InChI=1S/C2H2F4O3S/c3-1(4)2(5,6)10(7,8)9/h1H,(H,7,8,9) |
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| InChI Key | KZWJWYFPLXRYIL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic sulfonic acids and derivatives |
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| Sub Class | Organosulfonic acids and derivatives |
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| Direct Parent | Organosulfonic acids |
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| Alternative Parents | |
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| Substituents | - Alkanesulfonic acid
- Sulfonyl
- Organosulfonic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organosulfur compound
- Organofluoride
- Organohalogen compound
- Alkyl halide
- Alkyl fluoride
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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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 | splash10-0f89-0900000000-bf25ae59bef54f6d9267 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-3900000000-1a496c34bd565401fc17 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-1900000000-e0c11382851ee858cb14 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-9000000000-f3d3c7b8a0b7fdfd5c65 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-9000000000-b37f91113a76a7cb3112 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-a5ed893875070f9d858a | 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 | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | Not Available |
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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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