| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:41:06 UTC |
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| Update Date | 2016-11-09 01:09:19 UTC |
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| Accession Number | CHEM004322 |
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| Identification |
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| Common Name | Phosphoric acid, 2-chloro-1-(2,3,5-trichlorophenyl) eth |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - Clean Air Act Chemicals
- EPA Endocrine Screening
- HPV EPA Chemicals
- IARC Carcinogens Group 2B
- My Exposome Chemicals
- 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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| (Z)-2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate | ChEBI | | 2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate | ChEBI | | Gardona | ChEBI | | Stirofos | ChEBI | | Stirophos | ChEBI | | (Z)-2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphoric acid | Generator | | 2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphoric acid | Generator | | [(Z)-2-chloro-1-(2,4,5-Trichlorophenyl)ethenyl] dimethyl phosphoric acid | Generator | | Rabon | MeSH | | Tetrachlorvinphos | MeSH |
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| Chemical Formula | C10H9Cl4O4P |
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| Average Molecular Mass | 365.950 g/mol |
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| Monoisotopic Mass | 363.899 g/mol |
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| CAS Registry Number | 961-11-5 |
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| IUPAC Name | (Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate |
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| Traditional Name | rabon |
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| SMILES | [H]\C(Cl)=C(\OP(=O)(OC)OC)C1=CC(Cl)=C(Cl)C=C1Cl |
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| InChI Identifier | InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5- |
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| InChI Key | UBCKGWBNUIFUST-YHYXMXQVSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Styrenes |
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| Direct Parent | Styrenes |
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| Alternative Parents | |
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| Substituents | - Styrene
- Chlorobenzene
- Halobenzene
- Dialkyl phosphate
- Aryl chloride
- Aryl halide
- Organic phosphoric acid derivative
- Alkyl phosphate
- Phosphoric acid ester
- Chloroalkene
- Haloalkene
- Vinyl halide
- Vinyl chloride
- Organic oxygen compound
- Organohalogen compound
- Organochloride
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic 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 | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03gi-0906000000-50c011e020b530f7cff8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0419000000-8c65b63cfb04361bca62 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-2910000000-7fed324a7041fafa7bff | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0109000000-60d26ebab63f203436e1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03gi-1409000000-2bfacd593d7072e40aab | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004l-9500000000-28693f4b7629c3d54248 | 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 | Tetrachlorvinphos |
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| Chemspider ID | Not Available |
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| ChEBI ID | 35005 |
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| PubChem Compound ID | 5284462 |
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| Kegg Compound ID | C14513 |
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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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