Consensus flow list

Identity

Type
MolecularComplex
CAS
57754-85-5
EC
260-929-4
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Clopyralid-olamine

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NQQBTWVFKDDVIB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-4(8)9-5(3)6(10)11;3-1-2-4/h1-2H,(H,10,11);4H,1-3H2
IUPAC name chemrof:IUPAC_name 2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)
Molecular formula chemrof:molecular_formula C8H10Cl2N2O3
Molecular mass chemrof:molecular_mass 253.085
Monoisotopic mass chemrof:monoisotopic_mass 252.006848
SMILES string chemrof:smiles_string NCCO.O=C(O)c1nc(Cl)ccc1Cl

Known URLs

1

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=57754-85-5 enrich_references.consensus_cas_link

Elementary flows

7
Flow Context Source Unit CFs
d1ee03519ee03cea612771d5705ff4f52c3383a8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
f52e2b8f55bb85ad49b72c29be817b14118f1068 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
bbe4f41723164f70364c1f7f0d1d08f6a78c33c7 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
97f1162c84f8f6b5f151b48bca1e448262e26691 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
51037bad96a296c08b150e87aa3627ebac45412c Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
fa98cde705dbcaae0fde6445ef8972ba1acedcff Environmental → Water → Surface water ecoinvent algorithm addition kg 0
8494f07bccdc366c397091d12bb670daea167f00 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
{
  "flow_object_id": "fo-3abfe8698d56240f",
  "prefLabel": [
    {
      "@value": "Clopyralid-olamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=57754-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clopyr AG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=57754-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clopyralid monoethanolamine salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=57754-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clopyralid olamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyronal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dowco 290 monoethanolamine salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=57754-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-amino-, 3,6-dichloro-2-pyridinecarboxylate (salt)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lontrel Turf and Ornamental",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:57754-85-5",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=57754-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Reclaim",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=57754-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "rdfs:label": "IUPAC name",
      "@value": [
        "2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)"
        ]
      },
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "NCCO.O=C(O)c1nc(Cl)ccc1Cl"
      ],
      "provenance": [
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            "2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NCCO.O=C(O)c1nc(Cl)ccc1Cl"
          ]
        }
      ],
      "attested_by": {
        "NCCO.O=C(O)c1nc(Cl)ccc1Cl": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-4(8)9-5(3)6(10)11;3-1-2-4/h1-2H,(H,10,11);4H,1-3H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
            "2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)"
          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "NCCO.O=C(O)c1nc(Cl)ccc1Cl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C6H3Cl2NO2.C2H7NO/c7-3-1-2-4(8)9-5(3)6(10)11;3-1-2-4/h1-2H,(H,10,11);4H,1-3H2": [
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "NQQBTWVFKDDVIB-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "NCCO.O=C(O)c1nc(Cl)ccc1Cl"
        ]
      },
      "attested_by": {
        "NQQBTWVFKDDVIB-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C8H10Cl2N2O3"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "NCCO.O=C(O)c1nc(Cl)ccc1Cl"
        ]
      },
      "attested_by": {
        "C8H10Cl2N2O3": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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        ]
      },
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
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      },
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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      "provenance": {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "089be125-ae83-5cb0-84f1-74d05b62cdb0",
    "seed_source": "ecoinvent-3.12",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
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        "57754-85-5"
      ],
      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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