Consensus flow list

Identity

Type
NeutralMolecule
CAS
2675-77-6
EC
220-222-3
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Chloroneb

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
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

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PFIADAMVCJPXSF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
IUPAC name chemrof:IUPAC_name 1,4-dichloro-2,5-dimethoxybenzene
Molecular formula chemrof:molecular_formula C8H8Cl2O2
Molecular mass chemrof:molecular_mass 207.056
Monoisotopic mass chemrof:monoisotopic_mass 205.99013, 205.990135
SMILES string chemrof:smiles_string COc1cc(Cl)c(OC)cc1Cl

Known URLs

12

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
agr agr:IND83111917 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2675-77-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3628 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C11252 enrich_references.chebi_xrefs
pesticides pesticides:chloroneb enrich_references.chebi_xrefs
ppdb ppdb:145 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21428337 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5163857 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5786562 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6750388 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8000181 enrich_references.chebi_xrefs
reaxys reaxys:1952749 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
5c46388594d4c586b5a0af1d15713336d0dc4b88 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
7f61584ee6cbf71db1bfc4636c0d55344d192875 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
befd4c7df238d901bad516dea8febbb2cb04cbc9 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
3717dfcd6f0414adce9b3aac89a47ae7f72224c8 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
66fc0d50bfe6c3d451911b9380b79c1ffe40d625 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
35c299547adfc4a910a446750f38c667958f77e8 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
f55c7c293a2dc4ad350c95c1a48ee7df5de682da 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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        "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_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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