Brightway Flows 1.0
GitHub

Tolfenpyrad

fo-177ccaf06c16ce83

Identity

Type
Neutral molecule
CAS
129558-76-5
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Tolfenpyrad

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

2

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WPALTCMYPARVNV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
IUPAC name chemrof:IUPAC_name 4-chloro-3-ethyl-1-methyl-N-(4-(p-tolyloxy)benzyl)pyrazole-5-carboxamide
Molecular formula chemrof:molecular_formula C21H22ClN3O2
Molecular mass chemrof:molecular_mass 383.879
Monoisotopic mass chemrof:monoisotopic_mass 383.14005, 383.140055
SMILES string chemrof:smiles_string CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Cl

Known URLs

20

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=129558-76-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38628 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18491 enrich_references.chebi_xrefs
patent patent:CN101617680 enrich_references.chebi_xrefs
patent patent:CN101653123 enrich_references.chebi_xrefs
patent patent:CN101653124 enrich_references.chebi_xrefs
patent patent:CN101658178 enrich_references.chebi_xrefs
patent patent:CN101669476 enrich_references.chebi_xrefs
patent patent:CN101669478 enrich_references.chebi_xrefs
patent patent:CN101669500 enrich_references.chebi_xrefs
pesticides pesticides:tolfenpyrad enrich_references.chebi_xrefs
ppdb ppdb:1687 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21268826 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22606819 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22743356 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22802573 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23785993 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24237799 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24674936 enrich_references.chebi_xrefs
reaxys reaxys:13666608 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
bd14d3aad06219d5f61f7c148433a4285ce550f8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
077de6644452dd039b8dcd5bf78396d11e28d11a Environmental → Air → Unknown ecoinvent algorithm addition kg 0
fa13bdc6dd6358f7da41d3d21401c9131efcd944 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
5a39d8a630862d56f6db36e333a2a7b571f3e7ef Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
76642abae7ab58d8c39ede13a64fdd3c6a2a55ac Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
f6da5b90296bd3158f298b5eed0eea042d25f5d0 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
4435fb99a9a52bc5c102bf9dbaba8979ce034f36 Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-177ccaf06c16ce83",
  "prefLabel": [
    {
      "@value": "Tolfenpyrad",
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      "@lang": "en",
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    },
    {
      "@value": "4-chloro-3-ethyl-1-methyl-N-[4-(4-methylphenoxy)benzyl]-1H-pyrazole-5-carboxamide",
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  },
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        "129558-76-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=129558-76-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        "prov:wasDerivedFrom": "cas_numbers"
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
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    {
      "@value": "An aromatic amide obtained by formal condensation of the carboxy group of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxylic acid with the amino group of 1-[4-(4-methylphenoxy)phenyl]methylamine.",
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    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
      "rdfs:label": "agrochemical",
      "http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
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    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
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      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>.  In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
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    },
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      }
    }
  ]
}

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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

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