Consensus flow list

2,6-dichlorobenzamide

fo-2632208f0d7d9bb8

Identity

Type
NeutralMolecule
CAS
2008-58-4
EC
217-918-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 2,6-dichlorobenzamide

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
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

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JHSPCUHPSIUQRB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
IUPAC name chemrof:IUPAC_name 2,6-dichlorobenzamide
Molecular formula chemrof:molecular_formula C7H5Cl2NO
Molecular mass chemrof:molecular_mass 190.029
Monoisotopic mass chemrof:monoisotopic_mass 188.974819, 188.97482
SMILES string chemrof:smiles_string NC(=O)c1c(Cl)cccc1Cl

Known URLs

15

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=2008-58-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28435 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.291 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022170 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=53137 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184754 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E9JWF529EB enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J29.504C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10934 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10934 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51717 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16183 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16515829 enrich_references.chebi_xrefs
reaxys reaxys:1869103 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27103696 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
73a4789a-c434-4d18-bb60-0d346017b3d7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
325f960f-ceaf-4051-b03b-2cc4615f99af Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
768c7acc-9330-4bb1-af42-32c4fbaa1616 Environmental → Air → Indoor EF 3.1 kg 4
61693a07-817f-4aae-81df-f65c43a6ef6c Environmental → Air → Long-term EF 3.1 kg 0
5bd0e04f-2ed2-4abe-ad08-f455e6cff24f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
071e80c7-edfd-4f9a-898f-7a9d700cac8e Environmental → Air → Unknown EF 3.1 kg 4
5c6cea75-bd2a-4f79-8f4d-d7d4606000cf Environmental → Ground → Agricultural EF 3.1 kg 4
7b9de16a-94bb-434f-aefb-cb4017c7b3ed Environmental → Ground → Non-agricultural EF 3.1 kg 4
2eb81e20-520e-4f3e-916a-07b997844a29 Environmental → Ground → Unknown EF 3.1 kg 4
983a28e7-abb9-4f72-bef7-6a00169bf080 Environmental → Water → Long-term EF 3.1 kg 0
b1447209-ff6c-4ced-b1be-9fba54404359 Environmental → Water → Ocean EF 3.1 kg 4
5f1d85cc-6bd6-4f1e-bc72-a1efb310e71c Environmental → Water → Surface water EF 3.1 kg 4
c5b91336-41a2-4bc9-a9e9-70e6e4d1ef60 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 
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      "rule": "neutral_molecule",
      "reason": "",
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        "https://w3id.org/chemrof/NeutralMolecule"
      ],
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      }
    }
  },
  "classifications": {
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      "@value": [
        "2008-58-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2008-58-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2008-58-4"
        }
      ],
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "217-918-4"
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A member of the class of  benzamides that is benzamide substituted by chloro groups at positions 2 and 6.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_28435"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
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    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/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": {
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        "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": [
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        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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