Phoxim
fo-f0245f036627f32c
Identity
- Type
- Neutral molecule
- CAS
- 14816-18-3
- EC
- 238-887-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 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
26- 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide
- alpha-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile
- Basileum SI
- Basileum SI 84
- Basileum SI 84EC
- Baythion
- Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime
- Folaton
- Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate
- Jiubaojing
- O,O-Diethyl O-(α-cyanobenzylideneamino) phosphorothioate
- O,O-Diethyl-alpha-cyanobenzylidineaminooxyphosphonothiate
- O-(alpha-cyanobenzylideneamino) O,O-diethyl thiophosphate
- O-{[cyano(phenyl)methylidene]amino} O,O-diethyl phosphorothioate
- O-{[cyano(phenyl)methylidene]amino} O,O-diethyl thiophosphate
- Phenylglyoxylnitrile oxime O,O-diethyl phosphorothioate
- Phenylglyoxylonitrile oxime O,O-diethyl phosphorothioate
- Phosphorothioic acid, O,O-diethyl ester, O-[(α-cyanobenzylidene)amino] deriv.
- Phosphorothioic acid, O-[(cyanophenylmethylene)azanyl] O,O-diethyl ester
- Sebacil
- Tomiguard PE 50
- Toyothion
- Valexon
- Volaton
- Volaton bjdse 20
- Xylasan VL
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ATROHALUCMTWTB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | O-(alpha-cyanobenzylideneamino) O,O-diethyl thiophosphate |
| Molecular formula chemrof:molecular_formula | C12H15N2O3PS |
| Molecular mass chemrof:molecular_mass | 298.304 |
| Monoisotopic mass chemrof:monoisotopic_mass | 298.0541 |
| SMILES string chemrof:smiles_string | CCOP(=S)(OCC)ON=C(C#N)c1ccccc1 |
Known URLs
10Where 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=14816-18-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.035.337 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8034324 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6F5V775VPO | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256498 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56012 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80605 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/26927 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q164403 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Phoxim | enrich_references.pubchem_identifier_url |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 32cd2194-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-979e-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f01da960-b146-429a-b8c1-94214444fa40 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-979d-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-979f-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-979c-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-979a-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a32a-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| ac16d9bf849283e64e41bf152559c45c12fc6e0a | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-979b-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-97a1-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a32b-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-97a0-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 87bf7ad28ae194f27e7bd4667786dbff106d6553 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-97a2-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 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