Brightway Flows 1.0
GitHub

Pcb-18

fo-2f71e11c7e7d3cc5

Identity

Type
Neutral molecule
CAS
37680-65-2
EC
621-394-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Pcb-18

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DCMURXAZTZQAFB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H
IUPAC name chemrof:IUPAC_name 1,1′-Biphenyl, 2,2′,5-trichloro-
Molecular formula chemrof:molecular_formula C12H7Cl3
Molecular mass chemrof:molecular_mass 257.547
Monoisotopic mass chemrof:monoisotopic_mass 255.961333
SMILES string chemrof:smiles_string Clc1ccc(Cl)c(-c2ccccc2Cl)c1

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=37680-65-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.150.250 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6073491 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL13843 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6LEV53Y3OX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245376 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.408H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/37803 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27265105 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
958724e5-3465-4ce7-b499-1cea5115daba Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bc120100-b900-4876-a4a3-a09ea603afc9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
69ad4778-7472-4474-80e4-ac50772486ee Environmental → Air → Indoor EF 3.1 kg 2
f6c27408-388a-44a2-9e78-531bff052caa Environmental → Air → Long-term EF 3.1 kg 0
b4a03903-d4e3-49dd-bfc5-f733c0c8996e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
af5cfeea-ff98-4105-97b9-665cd91deb81 Environmental → Air → Unknown EF 3.1 kg 2
12403d1d-c102-419e-bdf3-9b768998ba3c Environmental → Ground → Agricultural EF 3.1 kg 2
37cef2f9-3614-4d09-a7b2-7514012d5612 Environmental → Ground → Non-agricultural EF 3.1 kg 2
bc282a21-ea41-4684-abb3-8f79464a8cfd Environmental → Ground → Unknown EF 3.1 kg 2
a114533f-3604-4887-a825-c26cc05b83d5 Environmental → Water → Long-term EF 3.1 kg 0
0ddfe148-cc8d-4a08-8465-ee7209b73fea Environmental → Water → Ocean EF 3.1 kg 2
a3173fd4-9c18-4deb-a505-d635f442f05e Environmental → Water → Surface water EF 3.1 kg 2
ea14382d-b669-48fa-96f0-7d9471235240 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-2f71e11c7e7d3cc5",
  "prefLabel": [
    {
      "@value": "Pcb-18",
      "@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": "1,1′-Biphenyl, 2,2′,5-trichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:37680-65-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=37680-65-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′,5-Trichloro-1,1′-biphenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:37680-65-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=37680-65-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′,5-Trichlorobiphenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:37680-65-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=37680-65-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′,5′-Trichlorobiphenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:37680-65-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=37680-65-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5,2′-Trichlorobiphenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:37680-65-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=37680-65-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PCB 18",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:37680-65-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=37680-65-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H7Cl3"
      ],
      "attested_by": {
        "C12H7Cl3": [
          "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:37803"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccc(Cl)c(-c2ccccc2Cl)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DCMURXAZTZQAFB-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "DCMURXAZTZQAFB-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:37803"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccc(Cl)c(-c2ccccc2Cl)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Clc1ccc(Cl)c(-c2ccccc2Cl)c1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1′-Biphenyl, 2,2′,5-trichloro-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccc(Cl)c(-c2ccccc2Cl)c1"
          ]
        }
      ],
      "attested_by": {
        "Clc1ccc(Cl)c(-c2ccccc2Cl)c1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1′-Biphenyl, 2,2′,5-trichloro-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccc(Cl)c(-c2ccccc2Cl)c1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,1′-Biphenyl, 2,2′,5-trichloro-"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,1′-Biphenyl, 2,2′,5-trichloro-"
        ]
      },
      "attested_by": {
        "1,1′-Biphenyl, 2,2′,5-trichloro-": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        257.547
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccc(Cl)c(-c2ccccc2Cl)c1"
          ]
        }
      ],
      "attested_by": {
        "257.547": [
          "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": [
        255.961333
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccc(Cl)c(-c2ccccc2Cl)c1"
          ]
        }
      ],
      "attested_by": {
        "255.961333": [
          "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=J150.408H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37803;CAS:37680-65-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[37680-65-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.150.250",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37803;CAS:37680-65-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[37680-65-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=37680-65-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37803;CAS:37680-65-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[37680-65-2]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6073491",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37803;CAS:37680-65-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[37680-65-2]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6LEV53Y3OX",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37803;CAS:37680-65-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[37680-65-2]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0245376",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37803;CAS:37680-65-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[37680-65-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/37803",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37803;CAS:37680-65-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[37680-65-2]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL13843",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37803;CAS:37680-65-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[37680-65-2]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27265105",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:37803;CAS:37680-65-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[37680-65-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0ddfe148-cc8d-4a08-8465-ee7209b73fea",
    "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": [
        "37680-65-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=37680-65-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=37680-65-2"
        }
      ],
      "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": [
        "621-394-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=621-394-6"
      ],
      "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"
  ]
}

Something wrong here?

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close