| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 03:05:40 UTC |
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| Update Date | 2016-11-09 01:14:00 UTC |
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| Accession Number | CHEM009476 |
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| Identification |
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| Common Name | Tetrachlorophthalic anhydride |
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| Class | Small Molecule |
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| Description | A cyclic dicarboxylic anhydride that is phthalic anhydride chlorinated at the 4-, 5-, 6- and 7-positions. |
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| Contaminant Sources | - HPV EPA 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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| 1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran | ChEBI | | 4,5,6,7-Tetrachloro-1,3-isobenzofurandione | ChEBI | | Etrachlorophthalic acid anhydride | ChEBI | | Tetrathal | ChEBI | | Etrachlorophthalate anhydride | Generator | | Tetrachlorophthalic anhydride | MeSH |
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| Chemical Formula | C8Cl4O3 |
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| Average Molecular Mass | 285.890 g/mol |
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| Monoisotopic Mass | 283.860 g/mol |
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| CAS Registry Number | 117-08-8 |
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| IUPAC Name | tetrachloro-1,3-dihydro-2-benzofuran-1,3-dione |
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| Traditional Name | tetrachlorophthalic anhydride |
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| SMILES | ClC1=C(Cl)C(Cl)=C(Cl)C2=C1C(=O)OC2=O |
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| InChI Identifier | InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11 |
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| InChI Key | AUHHYELHRWCWEZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phthalic anhydrides. Phthalic anhydrides are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzofurans |
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| Sub Class | Benzofuranones |
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| Direct Parent | Phthalic anhydrides |
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| Alternative Parents | |
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| Substituents | - Phthalic anhydride
- Phthalic_anhydride
- Isobenzofuranone
- Isocoumaran
- Aryl chloride
- Aryl halide
- Dicarboxylic acid or derivatives
- Benzenoid
- Carboxylic acid anhydride
- Vinylogous halide
- Carboxylic acid derivative
- Oxacycle
- Organohalogen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organochloride
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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 | splash10-000i-0090000000-994a011a61544daee8ad | 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 | splash10-001i-0090000000-331eacd1c7f537d33a5b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0090000000-331eacd1c7f537d33a5b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0090000000-331eacd1c7f537d33a5b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0090000000-cb878fd6f287bb6c2680 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0090000000-cb878fd6f287bb6c2680 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-0090000000-cb878fd6f287bb6c2680 | 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 | HMDB0258873 |
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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 | 8023 |
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| ChEBI ID | 59097 |
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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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