Consensus flow list

Identity

Type
NeutralMolecule
CAS
14816-18-3
EC
238-887-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Phoxim

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

Properties

PropertyValue
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

10

Where 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.org 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

14
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
08a91e70-3ddc-11dd-97a2-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f0245f036627f32c",
  "prefLabel": [
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  "altLabel": [
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      "@value": "3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide",
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    },
    {
      "@value": "alpha-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile",
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      "@value": "Basileum SI 84",
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      "@value": "Baythion",
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    },
    {
      "@value": "Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime",
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      "@value": "Folaton",
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    },
    {
      "@value": "Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate",
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    },
    {
      "@value": "Jiubaojing",
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      }
    },
    {
      "@value": "O,O-Diethyl O-(α-cyanobenzylideneamino) phosphorothioate",
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      }
    },
    {
      "@value": "O,O-Diethyl-alpha-cyanobenzylidineaminooxyphosphonothiate",
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    {
      "@value": "O-(alpha-cyanobenzylideneamino) O,O-diethyl thiophosphate",
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    },
    {
      "@value": "O-{[cyano(phenyl)methylidene]amino} O,O-diethyl phosphorothioate",
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    },
    {
      "@value": "O-{[cyano(phenyl)methylidene]amino} O,O-diethyl thiophosphate",
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      }
    },
    {
      "@value": "Phenylglyoxylnitrile oxime O,O-diethyl phosphorothioate",
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      }
    },
    {
      "@value": "Phenylglyoxylonitrile oxime O,O-diethyl phosphorothioate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic acid, O,O-diethyl ester, O-[(α-cyanobenzylidene)amino] deriv.",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic acid, O-[(cyanophenylmethylene)azanyl] O,O-diethyl ester",
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      }
    },
    {
      "@value": "Sebacil",
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        ],
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      }
    },
    {
      "@value": "Tomiguard PE 50",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Toyothion",
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      }
    },
    {
      "@value": "Valexon",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Volaton",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Volaton bjdse 20",
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    },
    {
      "@value": "Xylasan VL",
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  ],
  "properties": {
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        "C12H15N2O3PS"
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      "rdfs:label": "InChI",
      "@value": [
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