Tetrachlorophthalide
fo-cd23ba386888d708
Identity
- Type
- Neutral molecule
- CAS
- 27355-22-2
- EC
- 608-088-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
What it is used for
3
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| fungicide CHEBI:24127 | A substance used to destroy fungal pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
8- 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-
- 4,5,6,7-tetrachloro-1(3H)-isobenzofuranone
- 4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one
- 4,5,6,7-tetrachlorophthalide
- fthalide
- Phthalide
- Phthalide, 4,5,6,7-tetrachloro-
- Rabcide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NMWKWBPNKPGATC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2 |
| IUPAC name chemrof:IUPAC_name | Tetrachlorophthalide |
| Molecular formula chemrof:molecular_formula | C8H2Cl4O2 |
| Molecular mass chemrof:molecular_mass | 271.914 |
| Monoisotopic mass chemrof:monoisotopic_mass | 269.88089 |
| SMILES string chemrof:smiles_string | O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21 |
Known URLs
22Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=27355-22-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:47617 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.119.493 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2058045 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03302 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL357452 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/44IHE2M2T4 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.881C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18611 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18611 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=147829 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:PHH | enrich_references.chebi_xrefs |
| pesticides | pesticides:phthalide | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL357452 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1212 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/33791 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18670728 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18966786 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19218402 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23313696 | enrich_references.chebi_xrefs |
| reaxys | reaxys:182477 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27094229 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3816004b-7037-4073-a4e2-b5b3620ab6dc | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 90b84d4d-1777-4e4e-a54b-7bfb4833755b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 8548a578-165b-4000-9506-9e14cf052cc0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 66ed2c3e-0f33-456a-a5b6-2f8e95fb66be | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| bdc60e36-79b3-4485-9dca-06604695e410 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 30f0f372-4017-4eea-815c-ceaee81a3935 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5ef10e80-35cb-4cb9-8dfe-34676d329948 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 46838ffc-eedc-428d-ab00-7e903d40d918 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e8f139e3-4dab-4e9a-a793-b39229ae1dfb | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| bd82bd97-f25d-45b8-993d-ecefff039f95 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 228d9f67-c503-4bb8-947d-c824b317e1b2 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 8ce37a56-8cbf-45b9-946b-1c685206fd6b | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| fd7cf582-b3dd-4115-86c2-7f60caa9ee8a | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works