Consensus flow list

Identity

Type
NeutralMolecule
CAS
43121-43-3
EC
256-103-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Triadimefon

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
fungicide CHEBI:24127 A substance used to destroy fungal pests. 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

29

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WURBVZBTWMNKQT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
IUPAC name chemrof:IUPAC_name 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one
Molecular formula chemrof:molecular_formula C14H16ClN3O2
Molecular mass chemrof:molecular_mass 293.749, 293.754
Monoisotopic mass chemrof:monoisotopic_mass 293.0931, 293.093104
SMILES string chemrof:smiles_string CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1

Known URLs

14

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=43121-43-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9665 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C11156 enrich_references.chebi_xrefs
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-4061 enrich_references.chebi_xrefs
pesticides pesticides:triadimefon enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23419873 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23876258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24342051 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24531054 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24846121 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24962053 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25011125 enrich_references.chebi_xrefs
reaxys reaxys:619231 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Triadimefon enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
3e4d5083-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9032-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8de3f8ca-afc6-4bfb-ae60-e2e758d1e06e Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9031-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9cea-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9030-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-902e-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a829-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
09312c1e01ae26cb6bf5ee829c4b78539a552df7 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-902f-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9cec-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a82a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9ceb-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9ced-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
{
  "flow_object_id": "fo-1724bebb7b948cf4",
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    {
      "@value": "Triadimefon",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
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    },
    {
      "@value": "(RS)-triadimefon",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone",
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    },
    {
      "@value": "1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone",
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      "@value": "Azocene",
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      "@value": "BAY-MEB 6447",
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    {
      "@value": "Bayleton special",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fenxiunin",
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    },
    {
      "@value": "rac-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-triadimefon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "racemic triadimefon",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tidifon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "triadimefone",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Triadimephon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tripinacloraz",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Webeton",
      "@language": "en",
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}

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