Isoxathion
fo-3d7967c7df233ed1
Identity
- Type
- Neutral molecule
- CAS
- 18854-01-8
- EC
- 242-624-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 66 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 |
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | 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- 3-Isoxazolol, 5-phenyl-, O-ester with O,O-diethyl phosphorothioate
- Karphos
- O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate
- O,O-diethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothionate
- O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate
- O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate
- O,O-diethyl O-5-phenylisoxazol-3-ylphosphorothioate
- Phosphorothioic acid, O,O-diethyl O-(5-phenyl-3-isoxazolyl) ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SDMSCIWHRZJSRN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate |
| Molecular formula chemrof:molecular_formula | C13H16NO4PS |
| Molecular mass chemrof:molecular_mass | 313.315 |
| Monoisotopic mass chemrof:monoisotopic_mass | 313.053766, 313.05377 |
| SMILES string chemrof:smiles_string | CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1 |
Known URLs
19Where 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=18854-01-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34801 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.038.734 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0042080 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182191 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IRA3YFG6CX | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.456H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14580 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14580 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55032 | enrich_references.pubchem_identifier_url |
| patent | patent:EG17168 | enrich_references.chebi_xrefs |
| patent | patent:NZ190244 | enrich_references.chebi_xrefs |
| ppdb | ppdb:413 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/29307 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24418711 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9004458 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1222135 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q426373 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Isoxathion | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4ace6abd-b424-4bbd-8510-b30d0d7ed235 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| da169d7f-8968-4440-85c6-310594278487 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| a1972347-0c40-4012-9103-8a7ee1deabfa | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 0844a612-5e22-4147-876e-d6ca5b215d2b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fa131897-758b-49eb-b233-9be072ff325e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9a765134-fc8c-4c5f-af0a-f7370b29ba3c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| dd4678af-8889-4f8b-b7a2-92281b47a924 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ad572f56-992f-472c-a6f1-adadbca46813 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a8dcb8512e7a4e6b10d537528f6364454c5e3fa7 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| ef93f903-bfa6-4246-9bb8-eee9be369d8f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 38d03c30-e510-44b6-86a5-25597bd16923 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0caf3656-c9e0-4466-acb8-b8e5030b37ce | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 069ba664-be2d-401c-bb2f-989f5c15f0d4 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 5dd08733-eef8-4a7f-8bab-f2477d239832 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (66 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