Consensus flow list

Identity

Type
Neutral molecule
CAS
576-24-9
EC
209-399-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,3-dichlorophenol

Alternative labels

1

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UMPSXRYVXUPCOS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
IUPAC name chemrof:IUPAC_name 2,3-dichlorophenol
Molecular formula chemrof:molecular_formula C6H4Cl2O
Molecular mass chemrof:molecular_mass 163.003
Monoisotopic mass chemrof:monoisotopic_mass 161.96392
SMILES string chemrof:smiles_string Oc1cccc(Cl)c1Cl

Known URLs

6

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=576-24-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:747280 enrich_references.chebi_id_link
HMDB https://hmdb.ca/metabolites/HMDB0245391 enrich_references.chebi_xrefs
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-10864 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/10400648 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/2,3-Dichlorophenol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
07e70481-4ecd-435f-b8fc-38f30ce3ecda Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c9e93977-0049-4a11-b263-be0f1954f16f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0d0f8e03-1dc1-493b-b219-96e660881bb8 Environmental → Air → Indoor EF 3.1 kg 2
d11352f6-fcf1-4c3b-88f7-4b5c425fbe39 Environmental → Air → Long-term EF 3.1 kg 0
796ba27d-85aa-4d9f-9fc9-61ab63064963 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
81955670-5421-4941-a7cf-a62947f974df Environmental → Air → Unknown EF 3.1 kg 2
87acce0c-d796-41b3-adab-f62042a63ac4 Environmental → Ground → Agricultural EF 3.1 kg 2
9697a27f-88cd-49f7-a71e-608c26b1fd95 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5c54b99f-dd5c-4115-a3bd-925096384cbe Environmental → Ground → Unknown EF 3.1 kg 2
0a16463b-c486-4e4c-9b35-22b8ee4da016 Environmental → Water → Long-term EF 3.1 kg 0
1d0c19a3-3dc6-4122-819e-d53ef59dbb0d Environmental → Water → Ocean EF 3.1 kg 2
8788c824-1bf4-4b0b-b323-d5f77c76bbd7 Environmental → Water → Surface water EF 3.1 kg 2
4152ea20-5581-4e16-acd2-4853e8f8649e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-29e94d976469d4b2",
  "prefLabel": [
    {
      "@value": "2,3-dichlorophenol",
      "@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": "Phenol, 2,3-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:576-24-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=576-24-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H4Cl2O"
      ],
      "attested_by": {
        "C6H4Cl2O": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "Oc1cccc(Cl)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Oc1cccc(Cl)c1Cl"
      ],
      "provenance": [
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        },
        {
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      "attested_by": {
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    },
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      "rdfs:label": "InChI",
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        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "UMPSXRYVXUPCOS-UHFFFAOYSA-N"
      ],
      "attested_by": {
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          "enrich_references.chebi_semantic",
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        ]
      },
      "rdfs:label": "InChIKey",
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        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
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      ],
      "attested_by": {
        "161.96392": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Oc1cccc(Cl)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
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          "enrich_references.chebi_semantic"
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      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,3-dichlorophenol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,3-dichlorophenol"
        ]
      },
      "attested_by": {
        "2,3-dichlorophenol": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=576-24-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
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        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
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        "prov:wasDerivedFrom": "chebi.id"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "07e70481-4ecd-435f-b8fc-38f30ce3ecda",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
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  },
  "classifications": {
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      "@value": [
        "576-24-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=576-24-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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