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2,4,6-Trichloro-m-cresol

2D structure
Flow Object IDfo-73fd77c5c0d4aa8c
TypeConsensus
prefLabel
Label Language
2,4,6-Trichloro-m-cresol en
Alt Labels
Label Language Provenance
2,4,6-trichloro-3-methylphenol en —
CAS Numbers 551-76-8
Changes Applied13

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow00f90c92-fc46-45e8-9192-1914057e3ad4

Properties

Predicate Value
InChIKey QTAATZDGGZYBDC-UHFFFAOYSA-N
InChI InChI=1S/C7H5Cl3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
IUPAC name 2,4,6-trichloro-3-methylphenol
Molecular formula C7H5Cl3O
Molecular mass 211.475
Monoisotopic mass 209.940598
SMILES Cc1c(Cl)cc(Cl)c(O)c1Cl

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
3f785933… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 1
afb5dd52… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
7eea08c3… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 1
42088adf… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 1
00f90c92… EF 3.1 kg Environmental → Air → Unknown 2 1
e8218aa7… EF 3.1 kg Environmental → Air → Unknown 2 1
5888580c… EF 3.1 kg Environmental → Ground → Agricultural 2 1
3f314de9… EF 3.1 kg Environmental → Ground → Unknown 2 1
bc40fb9b… EF 3.1 kg Environmental → Water → Ocean 2 1
68c57f23… EF 3.1 kg Environmental → Water → Surface water 2 1
b7b741e5… EF 3.1 kg Environmental → Water → Unknown 2 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
00f90c92… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
145ce3fa… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
3f314de9… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
3f785933… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
42088adf… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
5888580c… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
68c57f23… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
6f163296… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
7eea08c3… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
afb5dd52… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
b7b741e5… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
bc40fb9b… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}
e8218aa7… cas_match_labels — {"551-76-8":"exactMatch"} group_key=2,4,6-trichloro-3-methylphenol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'551-76-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-73fd77c5c0d4aa8c: {'551-76-8': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-73fd77c5c0d4aa8c",
  "prefLabel": [
    {
      "@value": "2,4,6-Trichloro-m-cresol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4,6-trichloro-3-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H5Cl3O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11085"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1c(Cl)cc(Cl)c(O)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QTAATZDGGZYBDC-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11085"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1c(Cl)cc(Cl)c(O)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1c(Cl)cc(Cl)c(O)c1Cl"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,4,6-trichloro-3-methylphenol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1c(Cl)cc(Cl)c(O)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H5Cl3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,4,6-trichloro-3-methylphenol"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1c(Cl)cc(Cl)c(O)c1Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,4,6-trichloro-3-methylphenol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,4,6-trichloro-3-methylphenol"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "211.475"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=C(C(=C(C=C1Cl)Cl)O)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1c(Cl)cc(Cl)c(O)c1Cl"
          ]
        }
      ],
      "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": [
        "209.940598"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=C(C(=C(C=C1Cl)Cl)O)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1c(Cl)cc(Cl)c(O)c1Cl"
          ]
        }
      ],
      "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=J28.694J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11085;CAS:551-76-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[551-76-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=551-76-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "551-76-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID30203623",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.identifiers[551-76-8]"
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    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D0H0QF5KL9",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[551-76-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11085",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[551-76-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27275937",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[551-76-8]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "00f90c92-fc46-45e8-9192-1914057e3ad4",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "551-76-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=551-76-8"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=551-76-8"
        }
      ],
      "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
}