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p-Trifluoromethylbenzyl chloride

2D structure
Flow Object IDfo-d35fa4d9f57ee569
TypeConsensus
prefLabel
Label Language
p-Trifluoromethylbenzyl chloride en
Alt Labels
Label Language Provenance
Para-trifluoromethyl-chloro-benzene en —
CAS Numbers 939-99-1
Changes Applied12

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow172b0109-6556-11dd-ad8b-0800200c9a66

Properties

Predicate Value
InChIKey MCHDHQVROPEJJT-UHFFFAOYSA-N, QULYNCCPRWKEMF-UHFFFAOYSA-N
InChI InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
IUPAC name Para-trifluoromethyl-chloro-benzene
Molecular formula C7H4ClF3, C8H6ClF3
Molecular mass 180.556, 194.583
Monoisotopic mass 179.995362, 194.011013
SMILES FC(F)(F)c1ccc(Cl)cc1

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
172b010b… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 1
fe0acd60… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Unknown 0 1
172b0109… EF 3.1 kg Environmental → Ground → Agricultural 0 1
172b010d… EF 3.1 kg Environmental → Ground → Unknown 0 1
172b010e… EF 3.1 kg Environmental → Water → Ocean 0 1
172b010a… EF 3.1 kg Environmental → Water → Surface water 0 1
172b0110… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
172b0109… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
172b010a… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
172b010b… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
172b010d… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
172b010e… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
172b010f… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
172b0110… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
172b0111… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
fe0acd60… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
fe0acd60… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
fe0acd60… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}
fe0acd60… cas_match_labels — {"939-99-1":"exactMatch"} group_key=para-trifluoromethyl-chloro-benzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'939-99-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d35fa4d9f57ee569: {'939-99-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-d35fa4d9f57ee569",
  "prefLabel": [
    {
      "@value": "p-Trifluoromethylbenzyl chloride",
      "@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": "Para-trifluoromethyl-chloro-benzene",
      "@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": [
        "C7H4ClF3",
        "C8H6ClF3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)c1ccc(Cl)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MCHDHQVROPEJJT-UHFFFAOYSA-N",
        "QULYNCCPRWKEMF-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(F)(F)c1ccc(Cl)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "FC(F)(F)c1ccc(Cl)cc1"
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H"
      ],
      "provenance": [
        {
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        },
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          "prov:hadPrimarySource": [
            "FC(F)(F)c1ccc(Cl)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Para-trifluoromethyl-chloro-benzene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "180.556",
        "194.583"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=CC=C1CCl)C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)c1ccc(Cl)cc1"
          ]
        }
      ],
      "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": [
        "179.995362",
        "194.011013"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=CC=C1CCl)C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)(F)c1ccc(Cl)cc1"
          ]
        }
      ],
      "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=J474.240K",
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  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "172b0109-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "skos:exactMatch": [
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  "parent_flow_object_id": null
}