Dimethyl 2-nitroterephthalate

Substance: fo-ae409df20475b379 Neutral molecule
Source: EF 3.1
Unit: kg
Context: Environmental → Air → Indoor
CAS: 5292-45-5
EC: 226-134-1

Dimension: Environmental
Indoor: Unknown
Media: Air

1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester
1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester
1,4-Dimethyl 2-nitrobenzene-1,4-dicarboxylate
1-Nitrobenzene-2,5-dicarboxylic acid dimethyl ester
Dimethyl 2-nitro-1,4-benzenedicarboxylate
Dimethyl o-nitroterephthalate
Dimethyl nitroterephthalate
Terephthalic acid, nitro-, dimethyl ester

List	Version	Source flow	Name there	Why this flow
EF	3.1	ff6d991a-ca38-4757-9563-14d16676d171	dimethyl 2-nitroterephthalate	The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Source list	Source flow	Name there	Compartment there	Match	Conversion
EF 3.1	ff6d991a-ca38-4757-9563-14d16676d171	dimethyl 2-nitroterephthalate	Emissions/Emissions to air/Emissions to air, indoor	exactMatch	—

consensus-flow-list 2
European Commission — JRC 2

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method	Implementation	Category	Place	Factor	Published as
EF 3.1	European Commission — JRC	Ecotoxicity, freshwater	—	48,371	—
EF 3.1	consensus-flow-list	Ecotoxicity, freshwater	—	48,371	sole
EF 3.1	European Commission — JRC	Ecotoxicity, freshwater_organics	—	48,371	—
EF 3.1	consensus-flow-list	Ecotoxicity, freshwater_organics	—	48,371	sole

This flow in the difference report

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Flow JSON

{
  "altLabel": [
    {
      "@value": "1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5292-45-5",
          "https://commonchemistry.cas.org/detail?cas_rn=5292-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5292-45-5",
          "https://commonchemistry.cas.org/detail?cas_rn=5292-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Dimethyl 2-nitrobenzene-1,4-dicarboxylate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5292-45-5",
          "https://commonchemistry.cas.org/detail?cas_rn=5292-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Nitrobenzene-2,5-dicarboxylic acid dimethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5292-45-5",
          "https://commonchemistry.cas.org/detail?cas_rn=5292-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl 2-nitro-1,4-benzenedicarboxylate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5292-45-5",
          "https://commonchemistry.cas.org/detail?cas_rn=5292-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl o-nitroterephthalate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5292-45-5",
          "https://commonchemistry.cas.org/detail?cas_rn=5292-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethyl nitroterephthalate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5292-45-5",
          "https://commonchemistry.cas.org/detail?cas_rn=5292-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Terephthalic acid, nitro-, dimethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:5292-45-5",
          "https://commonchemistry.cas.org/detail?cas_rn=5292-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H9NO6"
      ],
      "attested_by": {
        "C10H9NO6": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:21364"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PAYWCKGMOYQZAW-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "PAYWCKGMOYQZAW-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:21364"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dimethyl 2-nitroterephthalate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1"
          ]
        }
      ],
      "attested_by": {
        "COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dimethyl 2-nitroterephthalate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Dimethyl 2-nitroterephthalate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Dimethyl 2-nitroterephthalate"
        ]
      },
      "attested_by": {
        "Dimethyl 2-nitroterephthalate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        239.183
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1"
          ]
        }
      ],
      "attested_by": {
        "239.183": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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": [
        239.042987
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1"
          ]
        }
      ],
      "attested_by": {
        "239.042987": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "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=J208.799E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21364;CAS:5292-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5292-45-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.023.759",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21364;CAS:5292-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5292-45-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5292-45-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21364;CAS:5292-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5292-45-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5022223",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21364;CAS:5292-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5292-45-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5056",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21364;CAS:5292-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5292-45-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/59QLU09DZ4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21364;CAS:5292-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5292-45-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21364",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21364;CAS:5292-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5292-45-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27261712",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21364;CAS:5292-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5292-45-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72471048",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21364;CAS:5292-45-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5292-45-5]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Dimethyl 2-nitroterephthalate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "ff6d991a-ca38-4757-9563-14d16676d171",
  "identifier": "ff6d991a-ca38-4757-9563-14d16676d171",
  "source": "EF 3.1",
  "cas_numbers": [
    "5292-45-5"
  ],
  "ec_numbers": [
    "226-134-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "synonyms": [],
  "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": 48371.0
    },
    {
      "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": 48371.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-ae409df20475b379",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/ff6d991a-ca38-4757-9563-14d16676d171",
        "skos:prefLabel": "dimethyl 2-nitroterephthalate",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/ff6d991a-ca38-4757-9563-14d16676d171"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/ff6d991a-ca38-4757-9563-14d16676d171"
      },
      "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"
        ]
      }
    }
  ],
  "_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": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "strip_catalogue_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "5292-45-5": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "dimethyl 2-nitroterephthalate",
    "synonyms": [
      "organic",
      "dimethyl2-nitroterephthalate",
      "1,4-benzenedicarboxylicacid,2-nitro-,1,4-dimethylester",
      "1,4-benzenedicarboxylicacid,2-nitro-,dimethylester",
      "dimethyl2-nitro-1,4-benzenedicarboxylate",
      "dimethylnitroterephthalate",
      "dimethylo-nitroterephthalate",
      "nitrodmt",
      "nitro-dmt"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, indoor"
    ],
    "cas_numbers": [
      "5292-45-5"
    ],
    "ec_numbers": [
      "226-134-1"
    ],
    "unit": "kg"
  }
}

A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.

You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works

Dimethyl 2-nitroterephthalate

Identity

Context

Alternative labels

Source lists

Concept associations

Characterisation factors

History

Full record

Something wrong here?

Keyboard