Tetrachlorophenols

Phenol, tetrachloro-
Tetrachlorophenol

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RULKYXXCCZZKDZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
IUPAC name chemrof:IUPAC_name	Phenol, tetrachloro-
Molecular formula chemrof:molecular_formula	C6H2Cl4O
Molecular mass chemrof:molecular_mass	231.893
Monoisotopic mass chemrof:monoisotopic_mass	229.885975
SMILES string chemrof:smiles_string	Oc1cc(Cl)c(Cl)c(Cl)c1Cl

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=25167-83-3	enrich_references.consensus_cas_link

Flow	Context	Source	Unit	CFs
f2aa0858-e26e-4ee5-b936-30ee43c68dd7	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
edc96609-b947-489c-990b-44497194cf22	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
98b5f2b8-1916-421c-bf11-fd763974764a	Environmental → Air → Indoor	EF 3.1	kg	2
0f822eb8-49f2-4d69-8e1e-6cad978d1e73	Environmental → Air → Long-term	EF 3.1	kg	0
df149bc3-d762-4ef8-a0ca-5a07ffd17b70	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
9ecb1982-b2b6-43eb-ba53-081a53d7f088	Environmental → Air → Unknown	EF 3.1	kg	2
19887a99-c981-4c3e-bd60-26f92eb9eaaa	Environmental → Ground → Agricultural	EF 3.1	kg	2
c70f9c64-17d1-460b-8808-1d0ebd084071	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
fe5a4356-ec5a-4b90-9173-ef6bf9e73aa8	Environmental → Ground → Unknown	EF 3.1	kg	2
157f2407-3e3d-4f92-9ae9-947e7bf02f91	Environmental → Water → Long-term	EF 3.1	kg	0
21348497-2c56-4b96-aa16-620b0306fb28	Environmental → Water → Ocean	EF 3.1	kg	2
e812cd54-1311-4ff9-bc74-762a08f30056	Environmental → Water → Surface water	EF 3.1	kg	2
e699989d-7df3-4cec-a98c-5cbe5ebe9e72	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (52 changes)

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Flow object JSON

{
  "flow_object_id": "fo-9f3d1ed59f3f01d4",
  "prefLabel": [
    {
      "@value": "Tetrachlorophenols",
      "@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, tetrachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25167-83-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrachlorophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Phenol, tetrachloro-"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Phenol, tetrachloro-"
        ]
      },
      "attested_by": {
        "Phenol, tetrachloro-": [
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        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Oc1cc(Cl)c(Cl)c(Cl)c1Cl"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Oc1cc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "attested_by": {
        "Oc1cc(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/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Phenol, tetrachloro-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Oc1cc(Cl)c(Cl)c(Cl)c1Cl"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "RULKYXXCCZZKDZ-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Oc1cc(Cl)c(Cl)c(Cl)c1Cl"
        ]
      },
      "attested_by": {
        "RULKYXXCCZZKDZ-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C6H2Cl4O"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Oc1cc(Cl)c(Cl)c(Cl)c1Cl"
        ]
      },
      "attested_by": {
        "C6H2Cl4O": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        231.893
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Oc1cc(Cl)c(Cl)c(Cl)c1Cl"
        ]
      },
      "attested_by": {
        "231.893": [
          "rdkit_post_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": [
        229.885975
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Oc1cc(Cl)c(Cl)c(Cl)c1Cl"
        ]
      },
      "attested_by": {
        "229.885975": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=25167-83-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "25167-83-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0f822eb8-49f2-4d69-8e1e-6cad978d1e73",
    "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": [
        "25167-83-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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Tetrachlorophenols

Identity

Structure

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