Brightway Flows 1.0
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Boscalid

fo-a3b8ea10f3df3cae

Identity

Type
Neutral molecule
CAS
188425-85-6
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Boscalid

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. 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

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WYEMLYFITZORAB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
IUPAC name chemrof:IUPAC_name 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide
Molecular formula chemrof:molecular_formula C18H12Cl2N2O
Molecular mass chemrof:molecular_mass 343.213
Monoisotopic mass chemrof:monoisotopic_mass 342.032668, 342.03267
SMILES string chemrof:smiles_string O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl

Known URLs

11

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=188425-85-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81822 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18547 enrich_references.chebi_xrefs
pesticides pesticides:boscalid enrich_references.chebi_xrefs
ppdb ppdb:86 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24380616 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24711278 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24893153 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24901961 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24936710 enrich_references.chebi_xrefs
reaxys reaxys:10092464 enrich_references.chebi_xrefs

Elementary flows

8
Flow Context Source Unit CFs
4373a46465bbff0bf2bfc9e1b3337ca2b4f4df59 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
aaf7379c91001c4dc6555c0c0c47e0ac6a54055e Environmental → Air → Unknown ecoinvent algorithm addition kg 0
0bd3aac2083c25f356bc1deeee876e13892b90ca Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
7d66cec2556cdca5f4e6bdf4481e43c7f639e8e2 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
a91578f988652a1c737aa83dcdc3f2e7723dc8ce Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
39506aca56c0e787bddea27bd09883777eb4b563 Environmental → Water → River agribalyse algorithm addition kg 0
b3f9f33f63bdd28a3cbf1f6abcba1d4f5f0182c1 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
b8a6cc93acbecef7b31d5560ee0294b95e4177cf 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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      "@value": "Boscalid",
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      "@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
      "rdfs:label": "fungicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal 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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