Consensus flow list

Bifenazate

fo-2ce9a17d1982bb57

Identity

Type
NeutralMolecule
CAS
149877-41-8
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Bifenazate

What it is used for

2

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
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

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VHLKTXFWDRXILV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)
IUPAC name chemrof:IUPAC_name 2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester
Molecular formula chemrof:molecular_formula C17H20N2O3
Molecular mass chemrof:molecular_mass 300.358
Monoisotopic mass chemrof:monoisotopic_mass 300.14739, 300.147393
SMILES string chemrof:smiles_string COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C

Known URLs

19

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=149877-41-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38660 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18589 enrich_references.chebi_xrefs
patent patent:CN101669496 enrich_references.chebi_xrefs
patent patent:CN101669508 enrich_references.chebi_xrefs
patent patent:US5367093 enrich_references.chebi_xrefs
patent patent:WO9310083 enrich_references.chebi_xrefs
ppdb ppdb:76 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17880043 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17972019 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18593182 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19165831 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19253653 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19330529 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19771398 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20309850 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20685616 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20735493 enrich_references.chebi_xrefs
reaxys reaxys:9632665 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
f70a9383edf4ee4d0a467225ff61de40994862de Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
2deede5dba337ffc82dc0dab0023192b2ae27db9 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
b6c7e858a63c0467d5c1f27dbe2f1e2cc52777ce Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
b957a49ac5fd16a0578f3048b67a1656899f1011 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
72e2248990e7ea958bcd547da471e50e2fdb3cd9 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
31765cf61ba00dd564ff706087c93ce6d145761e Environmental → Water → Surface water ecoinvent algorithm addition kg 0
5358745fd76f7bb0d2f5a81adf678f4322dd0cb0 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 
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    "seed_source": "ecoinvent-3.12",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "149877-41-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=149877-41-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=149877-41-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A carboxylic ester obtained by formal condensation of 2-(4-methoxy[1,1'-biphenyl]-3-yl)hydrazinecarboxylic acid with 2-propanol.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_38660"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_22153",
      "rdfs:label": "acaricide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy pests of the subclass <em>Acari</em> (mites and ticks).",
      "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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