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Fenitrothion

fo-f64e2fda3f3b9573

Identity

Type
Neutral molecule
CAS
122-14-5
EC
204-524-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Fenitrothion

What it is used for

4

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
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
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

57

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
IUPAC name chemrof:IUPAC_name O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate
Molecular formula chemrof:molecular_formula C9H12NO5PS
Molecular mass chemrof:molecular_mass 277.238
Monoisotopic mass chemrof:monoisotopic_mass 277.01738
SMILES string chemrof:smiles_string COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1

Known URLs

24

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=122-14-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34757 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.114 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0622 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4032613 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL347698 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W8M4X3Y7ZY enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041893 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2920.19.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.492I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14442 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14442 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49608 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65655 enrich_references.pubchem_identifier_url
ppdb ppdb:299 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31200 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3017 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3018 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11201171 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16628916 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23668748 enrich_references.chebi_xrefs
reaxys reaxys:1887367 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q417614 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Fenitrothion enrich_references.chebi_xrefs

Elementary flows

16
Flow Context Source Unit CFs
f2157178-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-93a2-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
61c9747f-aa87-4cc1-86c0-02d7cbaa949f Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9129-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-93a3-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9128-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9126-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-93a7-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
0865b44bfeee764246abe8bb720604c50b33c922 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9127-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-93a5-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-93a8-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4a7cdbb3e3d9c69751789a1be8cf4fe4c2772c9e Environmental → Water → River agribalyse algorithm addition kg 0
08a91e70-3ddc-11dd-93a4-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
c87602b2d29ae599bb6d449d2ab59c202e5985f4 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
08a91e70-3ddc-11dd-93a6-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "Insectigas F",
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    {
      "@value": "MEP",
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    },
    {
      "@value": "MEP (pesticide)",
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      "@value": "Metathion",
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      "@value": "Metathione",
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    },
    {
      "@value": "Metathionine E 50",
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    },
    {
      "@value": "Metation",
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    },
    {
      "@value": "Methylnitrophos",
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    },
    {
      "@value": "Mglawik F",
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    {
      "@value": "Monsanto CP 47114",
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      "@value": "Nitrophos",
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    },
    {
      "@value": "Nuvanol",
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        ],
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    },
    {
      "@value": "O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate",
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      "provenance": {
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      }
    },
    {
      "@value": "O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate",
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    },
    {
      "@value": "O,O-dimethyl O-(3-methyl-4-nitrophenyl)phosphorothioate",
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    },
    {
      "@value": "O,O-Dimethyl O-(4-nitro-3-methylphenyl)thiophosphate",
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    },
    {
      "@value": "O,O-Dimethyl O-4-nitro-m-tolyl phosphorothioate",
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    },
    {
      "@value": "O,O-Dimethyl O-4-nitro-m-tolyl thiophosphate",
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    {
      "@value": "Oleometathion",
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}

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