← Back to consensus flows

Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}

UUID 13c4c7a1-03cd-40a2-8f37-ce036fc81fd3
Flow Object IDfo-3838d53a90cb0421
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 73612-34-7
EC Numbers 277-553-1
prefLabel
Language Value Provenance
en Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}
altLabel ⓘ
Language Value Provenance
en Benzenesulfonic acid, 4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methyl-, barium salt (2:1)
en Benzenesulfonic acid, 4-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1)
References
Shared Properties
Predicate Value
InChIKey DJWVWXXAUZOCHO-UHFFFAOYSA-N, OTLKEWOVEAZDMR-UHFFFAOYSA-L
InChI InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);, InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2
IUPAC name barium(2+);4-chloranyl-5-methyl-2-[(2-oxidanidylnaphthalen-1-yl)diazenyl]benzenesulfonate;4-chloranyl-5-methyl-2-[(2-oxidanylnaphthalen-1-yl)diazenyl]benzenesulfonic acid, barium(2+);4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methylbenzenesulfonic acid;4-chloro-5-methyl-2-[(2-oxido-1-naphthalenyl)azo]benzenesulfonate, barium(2+);4-chloro-2-[(2-hydroxy-1-naphthyl)azo]-5-methyl-benzenesulfonic acid;4-chloro-5-methyl-2-[(2-oxido-1-naphthyl)azo]benzenesulfonate, barium(2+);4-chloro-2-[(2-hydroxy-1-naphthyl)azo]-5-methyl-besylic acid;4-chloro-5-methyl-2-[(2-oxido-1-naphthyl)azo]besylate, barium(2+);4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid;4-chloro-5-methyl-2-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate, barium(2+);bis(4-chloranyl-5-methyl-2-[(2-oxidanylnaphthalen-1-yl)diazenyl]benzenesulfonate), barium(2+);bis(4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methylbenzenesulfonate), barium(2+);bis(4-chloro-2-[(2-hydroxy-1-naphthyl)azo]-5-methyl-benzenesulfonate), barium(2+);bis(4-chloro-2-[(2-hydroxy-1-naphthyl)azo]-5-methyl-besylate), barium(2+);bis(4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate)
Molecular formula C34H24BaCl2N4O8S2, C34H26BaCl2N4O8S2
SMILES CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O.CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O.[Ba], CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O.CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)[O-])S(=O)(=O)[O-].[Ba+2], CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)[O-].CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)[O-].[Ba+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 13c4c7a1-03cd-40a2-8f37-ce036fc81fd3 barium bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 barium bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate} 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=bariumbis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=73612-34-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methyl-, barium salt (2:1), Benzenesulfonic acid, 4-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1); object_uuid=fo-3838d53a90cb0421
cas_match_labels 1 — consensus_match group_key=bariumbis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'73612-34-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3838d53a90cb0421: {'73612-34-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Benzenesulfonic acid, 4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methyl-, barium salt (2:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:73612-34-7', 'https://commonchemistry.cas.org/detail?cas_rn=73612-34-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:73612-34-7', 'https://commonchemistry.cas.org/detail?cas_rn=73612-34-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=bariumbis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=73612-34-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methyl-, barium salt (2:1), Benzenesulfonic acid, 4-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1); object_uuid=fo-3838d53a90cb0421
cas_match_labels None {'73612-34-7': 'exactMatch'} group_key=bariumbis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'73612-34-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3838d53a90cb0421: {'73612-34-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "13c4c7a1-03cd-40a2-8f37-ce036fc81fd3",
  "name": null,
  "cas_numbers": [
    "73612-34-7"
  ],
  "ec_numbers": [
    "277-553-1"
  ],
  "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": "13c4c7a1-03cd-40a2-8f37-ce036fc81fd3",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "13c4c7a1-03cd-40a2-8f37-ce036fc81fd3",
      "source_flow_name": "barium bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}",
      "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": "Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_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": "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-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": [
        "C34H24BaCl2N4O8S2",
        "C34H26BaCl2N4O8S2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924",
          "CID:136849191",
          "CID:164608421"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DJWVWXXAUZOCHO-UHFFFAOYSA-N",
        "OTLKEWOVEAZDMR-UHFFFAOYSA-L"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924",
          "CID:136849191",
          "CID:164608421"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O.CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O.[Ba]",
        "CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O.CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)[O-])S(=O)(=O)[O-].[Ba+2]",
        "CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)[O-].CC1=CC(=C(C=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)[O-].[Ba+2]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924",
          "CID:136849191",
          "CID:164608421"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);",
        "InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924",
          "CID:136849191",
          "CID:164608421"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "barium(2+);4-chloranyl-5-methyl-2-[(2-oxidanidylnaphthalen-1-yl)diazenyl]benzenesulfonate;4-chloranyl-5-methyl-2-[(2-oxidanylnaphthalen-1-yl)diazenyl]benzenesulfonic acid",
        "barium(2+);4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methylbenzenesulfonic acid;4-chloro-5-methyl-2-[(2-oxido-1-naphthalenyl)azo]benzenesulfonate",
        "barium(2+);4-chloro-2-[(2-hydroxy-1-naphthyl)azo]-5-methyl-benzenesulfonic acid;4-chloro-5-methyl-2-[(2-oxido-1-naphthyl)azo]benzenesulfonate",
        "barium(2+);4-chloro-2-[(2-hydroxy-1-naphthyl)azo]-5-methyl-besylic acid;4-chloro-5-methyl-2-[(2-oxido-1-naphthyl)azo]besylate",
        "barium(2+);4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid;4-chloro-5-methyl-2-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate",
        "barium(2+);bis(4-chloranyl-5-methyl-2-[(2-oxidanylnaphthalen-1-yl)diazenyl]benzenesulfonate)",
        "barium(2+);bis(4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methylbenzenesulfonate)",
        "barium(2+);bis(4-chloro-2-[(2-hydroxy-1-naphthyl)azo]-5-methyl-benzenesulfonate)",
        "barium(2+);bis(4-chloro-2-[(2-hydroxy-1-naphthyl)azo]-5-methyl-besylate)",
        "barium(2+);bis(4-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate)"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924",
          "CID:136849191",
          "CID:164608421"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J295.246G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136849191;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73612-34-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.070.482",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73612-34-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=73612-34-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "73612-34-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90891080",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73612-34-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/136075924",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[73612-34-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/136849191",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136849191;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[73612-34-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/164608421",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164608421;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[73612-34-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82870700",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73612-34-7]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzenesulfonic acid, 4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methyl-, barium salt (2:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73612-34-7",
          "https://commonchemistry.cas.org/detail?cas_rn=73612-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 4-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73612-34-7",
          "https://commonchemistry.cas.org/detail?cas_rn=73612-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "73612-34-7": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/13c4c7a1-03cd-40a2-8f37-ce036fc81fd3",
        "skos:prefLabel": "barium bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified (long-term)",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/13c4c7a1-03cd-40a2-8f37-ce036fc81fd3"
      },
      "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-3838d53a90cb0421"
}