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Pyridaphenthion

fo-21c80ab731636db7

Identity

Type
Neutral molecule
CAS
119-12-0
EC
204-298-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
67 across every transformer

Structure

Structure diagram for Pyridaphenthion

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

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CXJSOEPQXUCJSA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name O,O-diethyl O-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl) phosphorothioate
Molecular formula chemrof:molecular_formula C14H17N2O4PS
Molecular mass chemrof:molecular_mass 340.341
Monoisotopic mass chemrof:monoisotopic_mass 340.06466, 340.064665
SMILES string chemrof:smiles_string CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1

Known URLs

13

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
beilstein beilstein:302741 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=119-12-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38881 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.908 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2042355 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/98M0VDD56Z enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.478C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18762 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18762 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56054 enrich_references.pubchem_identifier_url
ppdb ppdb:570 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8381 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q1741694 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
654bb800-a9d9-4e7d-94c5-2cd3ffae5789 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1f50aa62-4ab2-4271-b5e4-0ee0e53d081f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
42f75724-3156-4da6-b9d8-2b4a47ebec57 Environmental → Air → Indoor EF 3.1 kg 2
3ce70f27-8b49-4a16-a935-4dfe3a80fd66 Environmental → Air → Long-term EF 3.1 kg 0
606d948d-d156-41de-ab0a-f8ec0c10e9cc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
32e727a8-55a9-4fe8-a99f-12f16208de0e Environmental → Air → Unknown EF 3.1 kg 2
00d1b956-29b4-4111-b2d5-e4c61bafada9 Environmental → Ground → Agricultural EF 3.1 kg 2
e48cb76e-02f3-4da5-aacd-f40da2786d27 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8caec465b76d9d7e7f2bb03eaf912232be4e99d2 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
f61c730e-46ad-460c-887d-e9d897ef3e67 Environmental → Ground → Unknown EF 3.1 kg 2
2af7383a-560f-4c5d-a8a6-c5bff95af7bc Environmental → Water → Long-term EF 3.1 kg 0
e380a0e2-927c-4ecf-b682-2050b4fd8831 Environmental → Water → Ocean EF 3.1 kg 2
542fc096-76e4-4fb1-8f10-a047ebfd300a Environmental → Water → Surface water EF 3.1 kg 2
62a18647-38bf-4368-9c79-4de2fdf0a523 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (67 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-21c80ab731636db7",
  "prefLabel": [
    {
      "@value": "Pyridaphenthion",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "3(2H)-Pyridazinone, 6-hydroxy-2-phenyl-, O-ester with O,O-diethyl phosphorothioate",
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    },
    {
      "@value": "American Cyanamid 12,503",
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    {
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    },
    {
      "@value": "O,O-diethyl O-(1,6-dihydro-6-oxo-1-phenylpyridazin-3-yl) Thiophosphate",
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      "@value": "Pyridafenthion",
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}

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