Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl](phenylmethyl)amino]-

← Back to consensus flows

Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl](phenylmethyl)amino]-

UUID c4a0d8f6-05f7-4bb6-bb69-1e65721b58c2

Flow Object ID fo-bcd79f20164f0bda

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 96662-24-7

EC Numbers 429-530-4

prefLabel

Language	Value	Provenance
`en`	`Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl](phenylmethyl)amino]-`

altLabel ⓘ

Language	Value	Provenance
`en`	`3-[[4-[2-(4-Nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]propanenitrile`
`en`	`C. I. Disperse Orange 288`
`en`	`Disperse Orange 288`
`en`	`Disperse Orange SE-RFL`
`en`	`Disperse Orange SE-RH`
`en`	`Disperse Red G-FS`
`en`	`Propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-`

References

Shared Properties

Predicate	Value
InChIKey	`AJKOAOUQPNLZTF-UHFFFAOYSA-N`
InChI	`InChI=1S/C22H19N5O2/c23-15-4-16-26(17-18-5-2-1-3-6-18)21-11-7-19(8-12-21)24-25-20-9-13-22(14-10-20)27(28)29/h1-3,5-14H,4,16-17H2`
IUPAC name	`3-[4-(4-nitrophenyl)azo-N-(phenylmethyl)anilino]propanenitrile, 3-[N-benzyl-4-(4-nitrophenyl)azo-anilino]propanenitrile, 3-[N-benzyl-4-(4-nitrophenyl)azo-anilino]propionitrile, 3-[N-benzyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile, 3-[[4-[(4-nitrophenyl)diazenyl]phenyl]-(phenylmethyl)amino]propanenitrile`
Molecular formula	`C22H19N5O2`
SMILES	`C1=CC=C(C=C1)CN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`c4a0d8f6-05f7-4bb6-bb69-1e65721b58c2`	propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	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=propanenitrile,3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=96662-24-7; added Common Chemistry CAS names as altLabel: 3-[[4-[2-(4-Nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]propanenitrile, C. I. Disperse Orange 288, Disperse Orange 288, Disperse Orange SE-RFL, Disperse Orange SE-RH, Disperse Red G-FS, Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl](phenylmethyl)amino]-; object_uuid=fo-bcd79f20164f0bda
`cas_match_labels`	1	`—`	consensus_match	group_key=propanenitrile,3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'96662-24-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bcd79f20164f0bda: {'96662-24-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '3-[[4-[2-(4-Nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]propanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96662-24-7', 'https://commonchemistry.cas.org/detail?cas_rn=96662-24-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C. I. Disperse Orange 288', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96662-24-7', 'https://commonchemistry.cas.org/detail?cas_rn=96662-24-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Disperse Orange 288', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96662-24-7', 'https://commonchemistry.cas.org/detail?cas_rn=96662-24-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Disperse Orange SE-RFL', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96662-24-7', 'https://commonchemistry.cas.org/detail?cas_rn=96662-24-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Disperse Orange SE-RH', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96662-24-7', 'https://commonchemistry.cas.org/detail?cas_rn=96662-24-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Disperse Red G-FS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96662-24-7', 'https://commonchemistry.cas.org/detail?cas_rn=96662-24-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl](phenylmethyl)amino]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:96662-24-7', 'https://commonchemistry.cas.org/detail?cas_rn=96662-24-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=propanenitrile,3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=96662-24-7; added Common Chemistry CAS names as altLabel: 3-[[4-[2-(4-Nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]propanenitrile, C. I. Disperse Orange 288, Disperse Orange 288, Disperse Orange SE-RFL, Disperse Orange SE-RH, Disperse Red G-FS, Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl](phenylmethyl)amino]-; object_uuid=fo-bcd79f20164f0bda
`cas_match_labels`	`None`	`{'96662-24-7': 'exactMatch'}`	group_key=propanenitrile,3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'96662-24-7': []}; assigned CAS labels from group consensus; object_uuid=fo-bcd79f20164f0bda: {'96662-24-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "c4a0d8f6-05f7-4bb6-bb69-1e65721b58c2",
  "name": null,
  "cas_numbers": [
    "96662-24-7"
  ],
  "ec_numbers": [
    "429-530-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "c4a0d8f6-05f7-4bb6-bb69-1e65721b58c2",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "c4a0d8f6-05f7-4bb6-bb69-1e65721b58c2",
      "source_flow_name": "propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-",
      "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 (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl](phenylmethyl)amino]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96662-24-7",
          "CID:15869329"
        ],
        "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",
    "altLabel": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C22H19N5O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "AJKOAOUQPNLZTF-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C(C=C1)CN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C22H19N5O2/c23-15-4-16-26(17-18-5-2-1-3-6-18)21-11-7-19(8-12-21)24-25-20-9-13-22(14-10-20)27(28)29/h1-3,5-14H,4,16-17H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-[4-(4-nitrophenyl)azo-N-(phenylmethyl)anilino]propanenitrile",
        "3-[N-benzyl-4-(4-nitrophenyl)azo-anilino]propanenitrile",
        "3-[N-benzyl-4-(4-nitrophenyl)azo-anilino]propionitrile",
        "3-[N-benzyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile",
        "3-[[4-[(4-nitrophenyl)diazenyl]phenyl]-(phenylmethyl)amino]propanenitrile"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J154.035A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329;CAS:96662-24-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96662-24-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=96662-24-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329;CAS:96662-24-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96662-24-7]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00579009",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329;CAS:96662-24-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96662-24-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/15869329",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329;CAS:96662-24-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[96662-24-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126681645",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15869329;CAS:96662-24-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[96662-24-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-[[4-[2-(4-Nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]propanenitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96662-24-7",
          "https://commonchemistry.cas.org/detail?cas_rn=96662-24-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C. I. Disperse Orange 288",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96662-24-7",
          "https://commonchemistry.cas.org/detail?cas_rn=96662-24-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disperse Orange 288",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96662-24-7",
          "https://commonchemistry.cas.org/detail?cas_rn=96662-24-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disperse Orange SE-RFL",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96662-24-7",
          "https://commonchemistry.cas.org/detail?cas_rn=96662-24-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disperse Orange SE-RH",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96662-24-7",
          "https://commonchemistry.cas.org/detail?cas_rn=96662-24-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disperse Red G-FS",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:96662-24-7",
          "https://commonchemistry.cas.org/detail?cas_rn=96662-24-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "c4a0d8f6-05f7-4bb6-bb69-1e65721b58c2"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "96662-24-7": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/c4a0d8f6-05f7-4bb6-bb69-1e65721b58c2",
        "skos:prefLabel": "propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/c4a0d8f6-05f7-4bb6-bb69-1e65721b58c2"
      },
      "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-bcd79f20164f0bda"
}