Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 01:31:05 UTC |
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Update Date | 2016-11-09 01:09:15 UTC |
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Accession Number | CHEM003972 |
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Identification |
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Common Name | 2,3,4,6-Tetrachlorophenol |
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Class | Small Molecule |
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Description | A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. |
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Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- My Exposome Chemicals
- STOFF IDENT Compounds
- Sludge 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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1-Hydroxy-2,3,4,6-tetrachlorobenzene | ChEBI | 2,3,4,6-TeCP | ChEBI | 2,4,5,6-Tetrachlorophenol | ChEBI | Dowicide 6 | ChEBI | 2346-Tetrachloro-phenol | HMDB | 2,3,4,6-Tetrachlorophenol sodium salt | HMDB | Sodium 2,3,4,6-tetrachlorophenolate | HMDB |
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Chemical Formula | C6H2Cl4O |
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Average Molecular Mass | 231.880 g/mol |
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Monoisotopic Mass | 229.886 g/mol |
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CAS Registry Number | 58-90-2 |
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IUPAC Name | 2,3,4,6-tetrachlorophenol |
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Traditional Name | chlorophenols |
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SMILES | OC1=C(Cl)C(Cl)=C(Cl)C=C1Cl |
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InChI Identifier | InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H |
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InChI Key | VGVRPFIJEJYOFN-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | Halophenols |
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Direct Parent | P-chlorophenols |
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Alternative Parents | |
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Substituents | - 4-chlorophenol
- 2-chlorophenol
- 3-chlorophenol
- Halobenzene
- Chlorobenzene
- Monocyclic benzene moiety
- Aryl halide
- Aryl chloride
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organochloride
- Organohalogen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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 | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS | splash10-003r-0290000000-e54498d20add87592002 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS | Not Available |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) | Not Available |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) | Not Available |
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LC-MS/MS | LC-MS/MS Spectrum - 15V, Negative | splash10-004i-0090000000-dba09e38f682b17a1153 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 90V, Negative | splash10-002f-0960000000-6935f4550068caefe8d0 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 75V, Negative | splash10-004i-0390000000-fb2ca22269ec6915af29 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 45V, Negative | splash10-004i-0090000000-ebb78886c203a8f23a49 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 60V, Negative | splash10-004i-0090000000-ab23c87a3c90ef81323e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0090000000-8b6de7f57b32a5a72006 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0090000000-ee0eafe698d950d26362 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0090000000-4c5fd105dcc5e5d6ae68 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-6b1704d1f490e482dd7e | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0090000000-e79219a2ec16c2f30520 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-0090000000-0cb99900d0a688b1971a | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0090000000-1a6c06d5976fc728165d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0090000000-1a6c06d5976fc728165d | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-3090000000-d79f44295aafb403f264 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-dba09e38f682b17a1153 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0090000000-dba09e38f682b17a1153 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-2090000000-2542ec1cd4e3715cd721 | View in MoNA |
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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 | HMDB0245432 |
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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 | 5806 |
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ChEBI ID | 132359 |
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PubChem Compound ID | 6028 |
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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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