1,4-dimethoxy-2-nitrobenzene

← Back to consensus flows

1,4-dimethoxy-2-nitrobenzene

UUID 54779370-4c9e-48a2-bcac-9271c74d57d7

Flow Object ID fo-689aaded2c34fa8c

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 89-39-4

EC Numbers 201-903-4

prefLabel

Language	Value	Provenance
`en`	`1,4-dimethoxy-2-nitrobenzene`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,5-Dimethoxynitrobenzene`
`en`	`Benzene, 1,4-dimethoxy-2-nitro-`
`en`	`NSC 1321`
`en`	`NSC 37986`
`en`	`Nitrohydroquinone dimethyl ether`

References

Shared Properties

Predicate	Value
InChIKey	`QBFLFADAZIZAOH-UHFFFAOYSA-N, UPTOWXNJLZJTGD-UHFFFAOYSA-N`
InChI	`InChI=1S/C16H15NO4/c1-17-12-8-9-13(16(19)20-2)14(10-12)21-15(18)11-6-4-3-5-7-11/h3-10,17H,1-2H3, InChI=1S/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3`
IUPAC name	`1,4-dimethoxy-2-nitro-benzene, 1,4-dimethoxy-2-nitrobenzene, 2-benzoyloxy-4-(methylamino)benzoic acid methyl ester, methyl 2-benzoyloxy-4-(methylamino)benzoate, methyl 4-(methylamino)-2-(phenylcarbonyloxy)benzoate`
Molecular formula	`C16H15NO4, C8H9NO4`
SMILES	`CNC1=CC(=C(C=C1)C(=O)OC)OC(=O)C2=CC=CC=C2, COC1=CC(=C(C=C1)OC)[N+](=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`54779370-4c9e-48a2-bcac-9271c74d57d7`	1,4-dimethoxy-2-nitrobenzene

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,4-dimethoxy-2-nitrobenzene	Emissions/Emissions to air/Emissions to air, 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=1,4-dimethoxy-2-nitrobenzene\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=89-39-4; added Common Chemistry CAS names as altLabel: 2,5-Dimethoxynitrobenzene, Benzene, 1,4-dimethoxy-2-nitro-, NSC 1321, NSC 37986, Nitrohydroquinone dimethyl ether; object_uuid=fo-689aaded2c34fa8c
`cas_match_labels`	1	`—`	consensus_match	group_key=1,4-dimethoxy-2-nitrobenzene\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'89-39-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-689aaded2c34fa8c: {'89-39-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,5-Dimethoxynitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=89-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1,4-dimethoxy-2-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=89-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 1321', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=89-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 37986', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=89-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nitrohydroquinone dimethyl ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-39-4', 'https://commonchemistry.cas.org/detail?cas_rn=89-39-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1,4-dimethoxy-2-nitrobenzene\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=89-39-4; added Common Chemistry CAS names as altLabel: 2,5-Dimethoxynitrobenzene, Benzene, 1,4-dimethoxy-2-nitro-, NSC 1321, NSC 37986, Nitrohydroquinone dimethyl ether; object_uuid=fo-689aaded2c34fa8c
`cas_match_labels`	`None`	`{'89-39-4': 'exactMatch'}`	group_key=1,4-dimethoxy-2-nitrobenzene\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'89-39-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-689aaded2c34fa8c: {'89-39-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "54779370-4c9e-48a2-bcac-9271c74d57d7",
  "name": null,
  "cas_numbers": [
    "89-39-4"
  ],
  "ec_numbers": [
    "201-903-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "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": 248.49
    },
    {
      "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": 248.49
    }
  ],
  "source": "EF 3.1",
  "identifier": "54779370-4c9e-48a2-bcac-9271c74d57d7",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "54779370-4c9e-48a2-bcac-9271c74d57d7",
      "source_flow_name": "1,4-dimethoxy-2-nitrobenzene",
      "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 air",
          "Emissions to air, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "1,4-dimethoxy-2-nitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "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-air-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": [
        "C16H15NO4",
        "C8H9NO4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639",
          "CID:247276"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QBFLFADAZIZAOH-UHFFFAOYSA-N",
        "UPTOWXNJLZJTGD-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639",
          "CID:247276"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CNC1=CC(=C(C=C1)C(=O)OC)OC(=O)C2=CC=CC=C2",
        "COC1=CC(=C(C=C1)OC)[N+](=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639",
          "CID:247276"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C16H15NO4/c1-17-12-8-9-13(16(19)20-2)14(10-12)21-15(18)11-6-4-3-5-7-11/h3-10,17H,1-2H3",
        "InChI=1S/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639",
          "CID:247276"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,4-dimethoxy-2-nitro-benzene",
        "1,4-dimethoxy-2-nitrobenzene",
        "2-benzoyloxy-4-(methylamino)benzoic acid methyl ester",
        "methyl 2-benzoyloxy-4-(methylamino)benzoate",
        "methyl 4-(methylamino)-2-(phenylcarbonyloxy)benzoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639",
          "CID:247276"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.778B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.001.731",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=89-39-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5058987",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90289504",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:247276;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1321",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37986",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=61671",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:247276;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/26K58PSU0G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/247276",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:247276;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[89-39-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/66639",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[89-39-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27254105",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66639;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82026824",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:247276;CAS:89-39-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-39-4]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,5-Dimethoxynitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-39-4",
          "https://commonchemistry.cas.org/detail?cas_rn=89-39-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,4-dimethoxy-2-nitro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-39-4",
          "https://commonchemistry.cas.org/detail?cas_rn=89-39-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 1321",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-39-4",
          "https://commonchemistry.cas.org/detail?cas_rn=89-39-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 37986",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-39-4",
          "https://commonchemistry.cas.org/detail?cas_rn=89-39-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nitrohydroquinone dimethyl ether",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-39-4",
          "https://commonchemistry.cas.org/detail?cas_rn=89-39-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "89-39-4": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/54779370-4c9e-48a2-bcac-9271c74d57d7",
        "skos:prefLabel": "1,4-dimethoxy-2-nitrobenzene",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/54779370-4c9e-48a2-bcac-9271c74d57d7"
      },
      "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-689aaded2c34fa8c"
}