| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:05:53 UTC |
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| Update Date | 2016-11-09 01:09:36 UTC |
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| Accession Number | CHEM005731 |
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| Identification |
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| Common Name | FD&C RED NO. 3, ALUMINUM LAKE--PROHIBITED |
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| Class | Small Molecule |
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| Description | A fluorocarbon that is decalin in which every hydrogen is replaced by fluorine. Capable of dissolving large quantities of oxygen, it has been used as the basis of an artificial blood substitute. |
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| Contaminant Sources | - EAFUS Chemicals
- FooDB Chemicals
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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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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| 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-Octadecafluorodecahydronaphthalene | ChEBI | | Decahydrooctadecafluoronaphthalene | ChEBI | | FDC | ChEBI | | Octadecafluorodecaline | ChEBI | | Perflunafene | ChEBI | | Acri-deca | Kegg | | Perfluorodecalin | MeSH | | Decalin perfluoride | MeSH | | Fluosol-DC | MeSH | | Perfluorodecalin, (cis)-isomer | MeSH | | DKLine | MeSH | | Perfluorodecalin, (trans)-isomer | MeSH |
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| Chemical Formula | C10F18 |
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| Average Molecular Mass | 462.081 g/mol |
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| Monoisotopic Mass | 461.971 g/mol |
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| CAS Registry Number | 12227-78-0 |
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| IUPAC Name | octadecafluoro-decahydronaphthalene |
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| Traditional Name | perfluorodecalin |
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| SMILES | FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F |
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| InChI Identifier | InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16 |
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| InChI Key | UWEYRJFJVCLAGH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as organofluorides. Organofluorides are compounds containing a chemical bond between a carbon atom and a fluorine atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organohalogen compounds |
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| Class | Organofluorides |
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| Sub Class | Not Available |
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| Direct Parent | Organofluorides |
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| Alternative Parents | |
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| Substituents | - Hydrocarbon derivative
- Organofluoride
- Alkyl halide
- Alkyl fluoride
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic 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 GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-03di-0319500000-8bc167c07afd2b379297 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000900000-4229a8591fd5e03f8a2b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0000900000-4229a8591fd5e03f8a2b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-0000900000-4229a8591fd5e03f8a2b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0000900000-73535fa07c5c1119dc00 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0000900000-73535fa07c5c1119dc00 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-0000900000-73535fa07c5c1119dc00 | 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 | HMDB0256315 |
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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 | Perfluorodecalin |
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| Chemspider ID | 13888074 |
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| ChEBI ID | 38848 |
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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 | |
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