Benzene, 1-methyl-3-(4-nitrophenyl)-

← Back to consensus flows

Benzene, 1-methyl-3-(4-nitrophenyl)-

UUID ecdc9766-a3af-4199-bc0c-09e1b622a16c

Deprecated yes

Replaced By d8bb49f8-0d99-4304-9fa1-5f0d05598227

Flow Object ID fo-9fe9bbad9ca44a6b

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 2303-25-5

prefLabel

Language	Value	Provenance
`en`	`Benzene, 1-methyl-3-(4-nitrophenyl)-`

altLabel

Language	Value	Provenance
`en`	`3-me-4'-no2-diphenyl Ether`

References

Shared Properties

Predicate	Value
InChIKey	`DLKBRTKDSDXWNA-UHFFFAOYSA-N`
InChI	`InChI=1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3`
IUPAC name	`1-methyl-3-(4-nitrophenoxy)benzene`
Molecular formula	`C13H11NO3`
SMILES	`CC1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`ecdc9766-a3af-4199-bc0c-09e1b622a16c`	3-me-4'-no2-diphenyl ether

Consolidated Field Provenance

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

Field	Change Count	Latest Time	Transformers	Latest Comment
`cas_match_labels`	1	`—`	consensus_match	group_key=3-me-4'-no2-diphenylether\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`cas_match_labels`	`None`	`{'2303-25-5': 'exactMatch'}`	group_key=3-me-4'-no2-diphenylether\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'2303-25-5': []}; assigned CAS labels from group consensus; object_uuid=fo-9fe9bbad9ca44a6b: {'2303-25-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "ecdc9766-a3af-4199-bc0c-09e1b622a16c",
  "name": null,
  "cas_numbers": [
    "2303-25-5"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": "Correct mapping CAS and flow to be verified, potentially wrong. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "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": 49.687
    },
    {
      "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": 49.687
    }
  ],
  "source": "EF 3.1",
  "identifier": "ecdc9766-a3af-4199-bc0c-09e1b622a16c",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "ecdc9766-a3af-4199-bc0c-09e1b622a16c",
      "source_flow_name": "3-me-4'-no2-diphenyl ether",
      "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 non-agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Benzene, 1-methyl-3-(4-nitrophenyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2303-25-5",
          "CID:16816"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "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",
    "cas_match_labels": "consensus_match",
    "altLabel": "pubchem_readable_name"
  },
  "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": [
        "C13H11NO3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DLKBRTKDSDXWNA-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-methyl-3-(4-nitrophenoxy)benzene"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.388A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816;CAS:2303-25-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2303-25-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2303-25-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2303-25-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40177583",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816;CAS:2303-25-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2303-25-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16816",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816;CAS:2303-25-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2303-25-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2270118",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816;CAS:2303-25-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2303-25-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83047904",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16816;CAS:2303-25-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2303-25-5]"
      }
    }
  ],
  "cas_match_labels": {
    "2303-25-5": "exactMatch"
  },
  "altLabel": [
    {
      "@value": "3-me-4'-no2-diphenyl Ether",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecdc9766-a3af-4199-bc0c-09e1b622a16c"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:d8bb49f8-0d99-4304-9fa1-5f0d05598227",
  "is_replaced_by_uuid": "d8bb49f8-0d99-4304-9fa1-5f0d05598227",
  "flow_object_id": "fo-9fe9bbad9ca44a6b"
}