Consensus flow list

Identity

Type
Molecular complex
CAS
57213-69-1
EC
260-625-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Triclopyr Triethylammonium Salt

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ROKVVMOXSZIDEG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H4Cl3NO3.C6H15N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-4-7(5-2)6-3/h1H,2H2,(H,12,13);4-6H2,1-3H3
IUPAC name chemrof:IUPAC_name Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, compd. with N,N-diethylethanamine (1:1)
Molecular formula chemrof:molecular_formula C13H19Cl3N2O3
Molecular mass chemrof:molecular_mass 357.665
Monoisotopic mass chemrof:monoisotopic_mass 356.046126
SMILES string chemrof:smiles_string CCN(CC)CC.O=C(O)COc1nc(Cl)c(Cl)cc1Cl

Known URLs

7

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=57213-69-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.055.097 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0034302 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HB98N76S9A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14345475 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/42163 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27279842 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4d7789-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9044-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
72346905-fbcb-42e5-a6e6-6c9e3465ba29 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9043-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9045-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9042-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9040-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9049-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a79ffa63e2e397ef8c5c0d7219ab9f96e8663895 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9041-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9047-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-904a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9046-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-9048-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-201ddfd89002bb93",
  "prefLabel": [
    {
      "@value": "Triclopyr Triethylammonium Salt",
      "@language": "en",
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      "@value": "Renovate 3",
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      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=260-625-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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