← Back to consensus flows

Methyl 4-chlorobenzoate

UUID 21f68cc3-06c1-4714-bb25-8ce1515bb92b
Flow Object IDfo-e830f90dc50078ac
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 1126-46-1
EC Numbers 214-420-9
prefLabel
Language Value Provenance
en Methyl 4-chlorobenzoate
altLabel
Language Value Provenance
en 4-(Methoxycarbonyl)chlorobenzene
en 4-Carbomethoxyphenyl chloride
en 4-Chlorobenzoic acid methyl ester
en 4-Chlorophenylcarboxylic acid methyl ester
en 5-Chloro-2-benzoic acid methyl ester
en <em>p</em>-Chlorobenzoic acid methyl ester
en Benzoic acid, 4-chloro-, methyl ester
en Benzoic acid, <em>p</em>-chloro-, methyl ester
en Methyl <em>p</em>-chlorobenzoate
en NSC 8366
References
Shared Properties
Predicate Value
InChIKey LXNFVVDCCWUUKC-UHFFFAOYSA-N
InChI InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
IUPAC name 4-chlorobenzoic acid methyl ester, methyl 4-chloranylbenzoate, methyl 4-chlorobenzoate
Molecular formula C8H7ClO2
SMILES COC(=O)C1=CC=C(C=C1)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 21f68cc3-06c1-4714-bb25-8ce1515bb92b methyl 4-chlorobenzoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 methyl 4-chlorobenzoate Emissions/Emissions to soil/Emissions to soil, unspecified kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=methyl4-chlorobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=1126-46-1; added Common Chemistry CAS names as altLabel: 4-(Methoxycarbonyl)chlorobenzene, 4-Carbomethoxyphenyl chloride, 4-Chlorobenzoic acid methyl ester, 4-Chlorophenylcarboxylic acid methyl ester, 5-Chloro-2-benzoic acid methyl ester, <em>p</em>-Chlorobenzoic acid methyl ester, Benzoic acid, 4-chloro-, methyl ester, Benzoic acid, <em>p</em>-chloro-, methyl ester, Methyl <em>p</em>-chlorobenzoate, NSC 8366; object_uuid=fo-e830f90dc50078ac
cas_match_labels 1 consensus_match group_key=methyl4-chlorobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1126-46-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e830f90dc50078ac: {'1126-46-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '4-(Methoxycarbonyl)chlorobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Carbomethoxyphenyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chlorobenzoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Chlorophenylcarboxylic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Chloro-2-benzoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Chlorobenzoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 4-chloro-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, <em>p</em>-chloro-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl <em>p</em>-chlorobenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8366', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1126-46-1', 'https://commonchemistry.cas.org/detail?cas_rn=1126-46-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=methyl4-chlorobenzoate||dimension=Environmental > media=Ground > geography=Unknown; cas=1126-46-1; added Common Chemistry CAS names as altLabel: 4-(Methoxycarbonyl)chlorobenzene, 4-Carbomethoxyphenyl chloride, 4-Chlorobenzoic acid methyl ester, 4-Chlorophenylcarboxylic acid methyl ester, 5-Chloro-2-benzoic acid methyl ester, <em>p</em>-Chlorobenzoic acid methyl ester, Benzoic acid, 4-chloro-, methyl ester, Benzoic acid, <em>p</em>-chloro-, methyl ester, Methyl <em>p</em>-chlorobenzoate, NSC 8366; object_uuid=fo-e830f90dc50078ac
cas_match_labels None {'1126-46-1': 'exactMatch'} group_key=methyl4-chlorobenzoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1126-46-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e830f90dc50078ac: {'1126-46-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "21f68cc3-06c1-4714-bb25-8ce1515bb92b",
  "name": null,
  "cas_numbers": [
    "1126-46-1"
  ],
  "ec_numbers": [
    "214-420-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 52.017
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 52.017
    }
  ],
  "source": "EF 3.1",
  "identifier": "21f68cc3-06c1-4714-bb25-8ce1515bb92b",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "21f68cc3-06c1-4714-bb25-8ce1515bb92b",
      "source_flow_name": "methyl 4-chlorobenzoate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Methyl 4-chlorobenzoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H7ClO2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LXNFVVDCCWUUKC-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "COC(=O)C1=CC=C(C=C1)Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-chlorobenzoic acid methyl ester",
        "methyl 4-chloranylbenzoate",
        "methyl 4-chlorobenzoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.050C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307;CAS:1126-46-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1126-46-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.013.110",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307;CAS:1126-46-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1126-46-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1126-46-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5022148",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307;CAS:1126-46-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1126-46-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8366",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307;CAS:1126-46-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1126-46-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M0U80J80VA",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307;CAS:1126-46-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1126-46-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/14307",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307;CAS:1126-46-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1126-46-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27283319",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14307;CAS:1126-46-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1126-46-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-(Methoxycarbonyl)chlorobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Carbomethoxyphenyl chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorobenzoic acid methyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorophenylcarboxylic acid methyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Chloro-2-benzoic acid methyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>p</em>-Chlorobenzoic acid methyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-chloro-, methyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, <em>p</em>-chloro-, methyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl <em>p</em>-chlorobenzoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 8366",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-46-1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-46-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "1126-46-1": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/21f68cc3-06c1-4714-bb25-8ce1515bb92b",
        "skos:prefLabel": "methyl 4-chlorobenzoate",
        "context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/21f68cc3-06c1-4714-bb25-8ce1515bb92b"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-e830f90dc50078ac"
}