| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:33:35 UTC |
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| Update Date | 2016-11-09 01:09:16 UTC |
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| Accession Number | CHEM004058 |
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| Identification |
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| Common Name | Cumene hydroperoxide |
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| Class | Small Molecule |
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| Description | Trichlorotrifluoroethane, also called 1,1,1-Trichloro-2,2,2-trifluoroethane or CFC-113a is a chlorofluorocarbon (CFC). It has the formula Cl3C-CF3. |
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| Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- OECD HPV Chemicals
- OSHA Hazardous 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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| 1,1,1-Trichloro-2,2,2-trifluoroethane | MeSH | | Freon 113a | MeSH | | CFC-113a | MeSH |
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| Chemical Formula | C2Cl3F3 |
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| Average Molecular Mass | 187.370 g/mol |
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| Monoisotopic Mass | 185.902 g/mol |
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| CAS Registry Number | 80-15-9 |
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| IUPAC Name | 1,1,1-trichloro-2,2,2-trifluoroethane |
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| Traditional Name | trichlorotrifluoroethane |
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| SMILES | FC(F)(F)C(Cl)(Cl)Cl |
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| InChI Identifier | InChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8 |
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| InChI Key | BOSAWIQFTJIYIS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as chlorofluorocarbons. These are alkyhalide compounds that are composed only of chlorine, fluorine, and carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organohalogen compounds |
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| Class | Alkyl halides |
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| Sub Class | Alkyl chlorides |
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| Direct Parent | Chlorofluorocarbons |
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| Alternative Parents | |
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| Substituents | - Chlorofluorocarbon
- Hydrocarbon derivative
- Organofluoride
- Organochloride
- 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 | |
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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 | 1,1,1-Trichloro-2,2,2-trifluoroethane |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 9635 |
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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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