Consensus flow list

Identity

Type
Neutral molecule
CAS
2176-62-7
EC
218-535-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Pentachloropyridine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DNDPLEAVNVOOQZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8
IUPAC name chemrof:IUPAC_name Pentachloropyridine
Molecular formula chemrof:molecular_formula C5Cl5N
Molecular mass chemrof:molecular_mass 251.327
Monoisotopic mass chemrof:monoisotopic_mass 248.847337
SMILES string chemrof:smiles_string Clc1nc(Cl)c(Cl)c(Cl)c1Cl

Known URLs

9

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=2176-62-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.850 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2022179 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26286 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1872753 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6MM852KA6T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J51.335K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16584 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27265162 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
609d2ecb-c2a9-46ab-94aa-718985d84fff Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7614ea50-bb0d-408f-a218-2723d5324183 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5353e7fc-4e87-41a6-a2c2-99a76c8e1f7e Environmental → Air → Indoor EF 3.1 kg 2
318d3501-efa5-4908-9f25-c940e2c2da5d Environmental → Air → Long-term EF 3.1 kg 0
5e7f48ad-d537-4e5c-a6ef-746f7b1d1b03 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
674c0a72-0d02-4864-93f4-16edebd8ab79 Environmental → Air → Unknown EF 3.1 kg 2
a838350a-460e-47ea-9fed-4e35fac9e51d Environmental → Ground → Agricultural EF 3.1 kg 2
bcbaf0ea-a1d7-4b93-bf1b-5a45062a2755 Environmental → Ground → Non-agricultural EF 3.1 kg 2
28fa0c6f-ef94-4df0-abba-ed32a7ff4577 Environmental → Ground → Unknown EF 3.1 kg 2
6b07c823-f79a-4af1-9354-99c206e01a97 Environmental → Water → Long-term EF 3.1 kg 0
eb9f40ad-ddc4-4b43-95bd-6ff1e6938e13 Environmental → Water → Ocean EF 3.1 kg 2
d6ab7bd5-c0b8-48c2-9107-31d82a2aed2a Environmental → Water → Surface water EF 3.1 kg 2
13056206-54b8-4c59-aa29-0bd7872ce26f 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-97c770046021a6f3",
  "prefLabel": [
    {
      "@value": "Pentachloropyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3,4,5,6-Pentachloropyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2176-62-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2176-62-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perchloropyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2176-62-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2176-62-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridine, 2,3,4,5,6-pentachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2176-62-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2176-62-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridine, pentachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2176-62-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2176-62-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5Cl5N"
      ],
      "attested_by": {
        "C5Cl5N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16584"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1nc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DNDPLEAVNVOOQZ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "DNDPLEAVNVOOQZ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16584"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1nc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Clc1nc(Cl)c(Cl)c(Cl)c1Cl"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Pentachloropyridine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1nc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "attested_by": {
        "Clc1nc(Cl)c(Cl)c(Cl)c1Cl": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Pentachloropyridine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1nc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Pentachloropyridine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Pentachloropyridine"
        ]
      },
      "attested_by": {
        "Pentachloropyridine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        251.327
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1nc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "attested_by": {
        "251.327": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        248.847337
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1nc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "attested_by": {
        "248.847337": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J51.335K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16584;CAS:2176-62-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2176-62-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.016.850",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16584;CAS:2176-62-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2176-62-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2176-62-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16584;CAS:2176-62-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2176-62-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2022179",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16584;CAS:2176-62-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2176-62-7]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26286",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16584;CAS:2176-62-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2176-62-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6MM852KA6T",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16584;CAS:2176-62-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2176-62-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16584",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16584;CAS:2176-62-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2176-62-7]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1872753",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16584;CAS:2176-62-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2176-62-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27265162",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16584;CAS:2176-62-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2176-62-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "13056206-54b8-4c59-aa29-0bd7872ce26f",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "2176-62-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2176-62-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2176-62-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "218-535-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=218-535-5"
      ],
      "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/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.