← Back to consensus flows

Disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate

UUID 2e258070-5929-4fd3-b420-362aea1e493e
Flow Object IDfo-ed3b24509ef34b2d
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 70210-40-1
EC Numbers 274-437-2
prefLabel
Language Value Provenance
en Disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate
altLabel ⓘ
Language Value Provenance
en 2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:2)
en 2-Naphthalenesulfonic acid, 6-amino-5-[[4-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, disodium salt
References
Shared Properties
Predicate Value
InChIKey TVBHTRRBFCNJGD-UHFFFAOYSA-L
InChI InChI=1S/C19H15BrN4O8S2.2Na/c1-9(20)19(26)22-11-3-5-14(16(7-11)34(30,31)32)23-24-18-13(21)4-2-10-6-12(33(27,28)29)8-15(25)17(10)18;;/h2-8,25H,1,21H2,(H,22,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
IUPAC name disodium;6-amino-5-[4-(2-bromoprop-2-enoylamino)-2-sulfonato-phenyl]azo-4-hydroxy-naphthalene-2-sulfonate, disodium;6-amino-5-[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatophenyl]azo-4-hydroxy-2-naphthalenesulfonate, disodium;6-amino-5-[4-[(2-bromoacryloyl)amino]-2-sulfonato-phenyl]azo-4-hydroxy-naphthalene-2-sulfonate, disodium;6-amino-5-[[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate, disodium;6-azanyl-5-[[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]diazenyl]-4-oxidanyl-naphthalene-2-sulfonate, disodium;N-[4-[(2-amino-8-oxido-6-sulfo-1-naphthalenyl)azo]-3-sulfophenyl]-2-bromo-2-propenimidate, disodium;N-[4-[(2-amino-8-oxido-6-sulfo-1-naphthyl)azo]-3-sulfo-phenyl]-2-bromo-acrylimidate, disodium;N-[4-[(2-amino-8-oxido-6-sulfo-1-naphthyl)azo]-3-sulfo-phenyl]-2-bromo-prop-2-enimidate, disodium;N-[4-[(2-amino-8-oxido-6-sulfonaphthalen-1-yl)diazenyl]-3-sulfophenyl]-2-bromoprop-2-enimidate, disodium;N-[4-[(2-azanyl-8-oxidanidyl-6-sulfo-naphthalen-1-yl)diazenyl]-3-sulfo-phenyl]-2-bromanyl-prop-2-enimidate
Molecular formula C19H13BrN4Na2O8S2
SMILES C=C(C(=NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)[O-])S(=O)(=O)O)N)S(=O)(=O)O)[O-])Br.[Na+].[Na+], C=C(C(=O)NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)[O-])N)S(=O)(=O)[O-])Br.[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2e258070-5929-4fd3-b420-362aea1e493e disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate Emissions/Emissions to soil/Emissions to non-agricultural soil 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=disodium6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=70210-40-1; added Common Chemistry CAS names as altLabel: 2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:2), 2-Naphthalenesulfonic acid, 6-amino-5-[[4-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, disodium salt; object_uuid=fo-ed3b24509ef34b2d
cas_match_labels 1 — consensus_match group_key=disodium6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70210-40-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ed3b24509ef34b2d: {'70210-40-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:2)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70210-40-1', 'https://commonchemistry.cas.org/detail?cas_rn=70210-40-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Naphthalenesulfonic acid, 6-amino-5-[[4-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, disodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70210-40-1', 'https://commonchemistry.cas.org/detail?cas_rn=70210-40-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=disodium6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=70210-40-1; added Common Chemistry CAS names as altLabel: 2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:2), 2-Naphthalenesulfonic acid, 6-amino-5-[[4-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, disodium salt; object_uuid=fo-ed3b24509ef34b2d
cas_match_labels None {'70210-40-1': 'exactMatch'} group_key=disodium6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'70210-40-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ed3b24509ef34b2d: {'70210-40-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "2e258070-5929-4fd3-b420-362aea1e493e",
  "name": null,
  "cas_numbers": [
    "70210-40-1"
  ],
  "ec_numbers": [
    "274-437-2"
  ],
  "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": 2.1468
    },
    {
      "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": 2.1468
    }
  ],
  "source": "EF 3.1",
  "identifier": "2e258070-5929-4fd3-b420-362aea1e493e",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "2e258070-5929-4fd3-b420-362aea1e493e",
      "source_flow_name": "disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",
      "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": "Disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",
      "@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-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": [
        "C19H13BrN4Na2O8S2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166128",
          "CID:101531266"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "TVBHTRRBFCNJGD-UHFFFAOYSA-L"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166128",
          "CID:101531266"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C=C(C(=NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)[O-])S(=O)(=O)O)N)S(=O)(=O)O)[O-])Br.[Na+].[Na+]",
        "C=C(C(=O)NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)[O-])N)S(=O)(=O)[O-])Br.[Na+].[Na+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166128",
          "CID:101531266"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C19H15BrN4O8S2.2Na/c1-9(20)19(26)22-11-3-5-14(16(7-11)34(30,31)32)23-24-18-13(21)4-2-10-6-12(33(27,28)29)8-15(25)17(10)18;;/h2-8,25H,1,21H2,(H,22,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166128",
          "CID:101531266"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "disodium;6-amino-5-[4-(2-bromoprop-2-enoylamino)-2-sulfonato-phenyl]azo-4-hydroxy-naphthalene-2-sulfonate",
        "disodium;6-amino-5-[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatophenyl]azo-4-hydroxy-2-naphthalenesulfonate",
        "disodium;6-amino-5-[4-[(2-bromoacryloyl)amino]-2-sulfonato-phenyl]azo-4-hydroxy-naphthalene-2-sulfonate",
        "disodium;6-amino-5-[[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate",
        "disodium;6-azanyl-5-[[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]diazenyl]-4-oxidanyl-naphthalene-2-sulfonate",
        "disodium;N-[4-[(2-amino-8-oxido-6-sulfo-1-naphthalenyl)azo]-3-sulfophenyl]-2-bromo-2-propenimidate",
        "disodium;N-[4-[(2-amino-8-oxido-6-sulfo-1-naphthyl)azo]-3-sulfo-phenyl]-2-bromo-acrylimidate",
        "disodium;N-[4-[(2-amino-8-oxido-6-sulfo-1-naphthyl)azo]-3-sulfo-phenyl]-2-bromo-prop-2-enimidate",
        "disodium;N-[4-[(2-amino-8-oxido-6-sulfonaphthalen-1-yl)diazenyl]-3-sulfophenyl]-2-bromoprop-2-enimidate",
        "disodium;N-[4-[(2-azanyl-8-oxidanidyl-6-sulfo-naphthalen-1-yl)diazenyl]-3-sulfo-phenyl]-2-bromanyl-prop-2-enimidate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166128",
          "CID:101531266"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J288.878E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:101531266;CAS:70210-40-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[70210-40-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.067.649",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166128;CAS:70210-40-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[70210-40-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=70210-40-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "70210-40-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID60890065",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166128;CAS:70210-40-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[70210-40-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/101531266",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:101531266;CAS:70210-40-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[70210-40-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/166128",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166128;CAS:70210-40-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[70210-40-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82869876",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166128;CAS:70210-40-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[70210-40-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:2)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:70210-40-1",
          "https://commonchemistry.cas.org/detail?cas_rn=70210-40-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthalenesulfonic acid, 6-amino-5-[[4-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, disodium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:70210-40-1",
          "https://commonchemistry.cas.org/detail?cas_rn=70210-40-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "70210-40-1": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/2e258070-5929-4fd3-b420-362aea1e493e",
        "skos:prefLabel": "disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",
        "context": "Emissions/Emissions to soil/Emissions to non-agricultural soil",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/2e258070-5929-4fd3-b420-362aea1e493e"
      },
      "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-ed3b24509ef34b2d"
}