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Pyrazolynate

fo-5c3cd30f42c076ef

Identity

Type
Neutral molecule
CAS
58011-68-0
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Pyrazolynate

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
herbicide CHEBI:24527 A substance used to destroy plant 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

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ASRAWSBMDXVNLX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3
IUPAC name chemrof:IUPAC_name (2,4-dichlorophenyl)[1,3-dimethyl-5-[[(4-methylphenyl)sulfonyl]oxy]-1H-pyrazol-4-yl]methanone
Molecular formula chemrof:molecular_formula C19H16Cl2N2O4S
Molecular mass chemrof:molecular_mass 439.32
Monoisotopic mass chemrof:monoisotopic_mass 438.02078, 438.020783
SMILES string chemrof:smiles_string Cc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1

Known URLs

9

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=58011-68-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8657 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C11123 enrich_references.chebi_xrefs
pesticides pesticides:pyrazolynate enrich_references.chebi_xrefs
ppdb ppdb:2766 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11959123 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22914901 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26449612 enrich_references.chebi_xrefs
reaxys reaxys:860937 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
1b12459e012cf82bdec44d1ad29146044e500a8f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
cfecb8d8f3e8edf16cf8c14cd9b43f3c415625cf Environmental → Air → Unknown ecoinvent algorithm addition kg 0
9ff29e58c543b3b637cf227e724967bf417f90bc Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
135c6187fea25f84faff76aa68055b9fd98440d2 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
9d1ef90f8176a39c6dcc3d403035686590f68d7e Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
e026438802f8a151fbfdad308adb5b012188d2ca Environmental → Water → Surface water ecoinvent algorithm addition kg 0
7475e1ae2aeb120d4fc826dc00d5f4fa719554e0 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-5c3cd30f42c076ef",
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    {
      "@value": "4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl 4-methylbenzene-1-sulfonate",
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    {
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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": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
      "rdfs:label": "herbicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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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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