1-methyl-2-nitrobenzene

← Back to consensus flows

UUID c89faad7-219c-425c-ae6f-f9cd0daf99dc

Deprecated yes

Replaced By 57409ef6-f505-472c-a5d6-199fec26266a

Flow Object ID fo-716365507656934a

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 1321-12-6

EC Numbers 215-311-9

prefLabel ⓘ

Language	Value	Provenance
`en`	`1-methyl-2-nitrobenzene`

altLabel ⓘ

Language	Value	Provenance
`en`	`Benzene, methylnitro-`
`en`	`Methylnitrobenzene`
`en`	`Mononitrotoluene`
`en`	`Nitrophenylmethane`
`en`	`Nitrotoluene`
`en`	`Toluene, <em>ar</em>-nitro-`

References

Shared Properties

Predicate	Value
InChIKey	`PLAZTCDQAHEYBI-UHFFFAOYSA-N, QZYHIOPPLUPUJF-UHFFFAOYSA-N`
InChI	`InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3, InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3`
IUPAC name	`1-methyl-2-nitro-benzene, 1-methyl-2-nitrobenzene, 1-methyl-3-nitro-benzene, 1-methyl-3-nitrobenzene`
Molecular formula	`C7H7NO2`
SMILES	`CC1=CC(=CC=C1)[N+](=O)[O-], CC1=CC=CC=C1[N+](=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`c89faad7-219c-425c-ae6f-f9cd0daf99dc`	toluene, reaction product with nitrosulphuric acid (mixture of concentrated nitric acid and concentrated sulphuric acid)

Consolidated Field Provenance

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

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	2	`—`	consensus_match	group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; added Common Chemistry CAS names as altLabel: Benzene, methylnitro-, Methylnitrobenzene, Mononitrotoluene, Nitrophenylmethane, Nitrotoluene, Toluene, <em>ar</em>-nitro-; object_uuid=fo-716365507656934a
`cas_match_labels`	1	`—`	consensus_match	group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'1321-12-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-716365507656934a: {'1321-12-6': 'exactMatch'}
`prefLabel`	1	`—`	consensus_match	group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.8219; pubchem_entropy=3.5842; current_score=4.8519; pubchem_score=3.7842; score_improvement=1.0677; threshold=0.400; min_margin=0.400; object_uuid=fo-716365507656934a

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`prefLabel`	`[{'@value': 'Toluene, Reaction Product With Nitrosulphuric Acid (mixture Of Concentrated Nitric Acid And Concentrated Sulphuric Acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}]`	`[{'@value': '1-methyl-2-nitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'name:1-methyl-2-nitrobenzene', 'https://pubchem.ncbi.nlm.nih.gov/compound/6944'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}]`	group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.8219; pubchem_entropy=3.5842; current_score=4.8519; pubchem_score=3.7842; score_improvement=1.0677; threshold=0.400; min_margin=0.400; object_uuid=fo-716365507656934a
`altLabel`	`None`	`[{'@value': 'Toluene, Reaction Product With Nitrosulphuric Acid (mixture Of Concentrated Nitric Acid And Concentrated Sulphuric Acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-716365507656934a
`altLabel`	`[{'@value': 'Toluene, Reaction Product With Nitrosulphuric Acid (mixture Of Concentrated Nitric Acid And Concentrated Sulphuric Acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	[{'@value': 'Benzene, methylnitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylnitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mononitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nitrophenylmethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nitrotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, <em>ar</em>-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1321-12-6', 'https://commonchemistry.cas.org/detail?cas_rn=1321-12-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=1321-12-6; added Common Chemistry CAS names as altLabel: Benzene, methylnitro-, Methylnitrobenzene, Mononitrotoluene, Nitrophenylmethane, Nitrotoluene, Toluene, <em>ar</em>-nitro-; object_uuid=fo-716365507656934a
`cas_match_labels`	`None`	`{'1321-12-6': 'exactMatch'}`	group_key=toluene,reactionproductwithnitrosulphuricacid(mixtureofconcentratednitricacidandconcentratedsulphuricacid)\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'1321-12-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-716365507656934a: {'1321-12-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "c89faad7-219c-425c-ae6f-f9cd0daf99dc",
  "name": null,
  "cas_numbers": [
    "1321-12-6"
  ],
  "ec_numbers": [
    "215-311-9"
  ],
  "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": 655.49
    },
    {
      "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": 655.49
    }
  ],
  "source": "EF 3.1",
  "identifier": "c89faad7-219c-425c-ae6f-f9cd0daf99dc",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "c89faad7-219c-425c-ae6f-f9cd0daf99dc",
      "source_flow_name": "toluene, reaction product with nitrosulphuric acid (mixture of concentrated nitric acid and concentrated sulphuric acid)",
      "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": "1-methyl-2-nitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1321-12-6",
          "name:1-methyl-2-nitrobenzene",
          "https://pubchem.ncbi.nlm.nih.gov/compound/6944"
        ],
        "prov:wasDerivedFrom": "pubchem preferred label selection"
      }
    }
  ],
  "_sources": {
    "prefLabel": "consensus_match",
    "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": [
        "C7H7NO2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944",
          "CID:7422"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PLAZTCDQAHEYBI-UHFFFAOYSA-N",
        "QZYHIOPPLUPUJF-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944",
          "CID:7422"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC(=CC=C1)[N+](=O)[O-]",
        "CC1=CC=CC=C1[N+](=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944",
          "CID:7422"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3",
        "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944",
          "CID:7422"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-methyl-2-nitro-benzene",
        "1-methyl-2-nitrobenzene",
        "1-methyl-3-nitro-benzene",
        "1-methyl-3-nitrobenzene"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944",
          "CID:7422"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.583A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.906C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.001.685",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.002.480",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.013.920",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0931",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1411",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1321-12-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4025791",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5021831",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9577",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9578",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/2-Nitrotoluene",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/3-Nitrotoluene",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/29A9W826KQ",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6Q9N88YIAY",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0245268",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0245952",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://pharos.nih.gov/ligands/NPUV4FCBTCUR",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6944",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1321-12-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7422",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1321-12-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1664",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.cdc.gov/niosh-rtecs/XT2D6518.html",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.cdc.gov/niosh-rtecs/XT3010B0.html",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33098",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39931",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL114059",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL47047",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/C19486",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/C19597",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52238",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54817",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q2533785",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6944;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q2816005",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:7422;CAS:1321-12-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1321-12-6]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzene, methylnitro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1321-12-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1321-12-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylnitrobenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1321-12-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1321-12-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mononitrotoluene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1321-12-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1321-12-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nitrophenylmethane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1321-12-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1321-12-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nitrotoluene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1321-12-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1321-12-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Toluene, <em>ar</em>-nitro-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1321-12-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1321-12-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "1321-12-6": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:57409ef6-f505-472c-a5d6-199fec26266a",
  "is_replaced_by_uuid": "57409ef6-f505-472c-a5d6-199fec26266a",
  "flow_object_id": "fo-716365507656934a"
}