← Back to consensus flows

Ammonium 3-amino-2,5-dichlorobenzoate

UUID fa41e4af-09c8-4f93-ba8b-598fa6105387
Flow Object IDfo-02d852f2ce0148da
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 1076-46-6
EC Numbers 214-062-3
prefLabel
Language Value Provenance
en Ammonium 3-amino-2,5-dichlorobenzoate
altLabel
Language Value Provenance
en Amiben ammonium salt
en Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt
en Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt (1:1)
en Benzoic acid, 3-amino-2,5-dichloro-, monoammonium salt
en Chloramben ammonium salt
en Chloramben-ammonium
References
Shared Properties
Predicate Value
InChIKey RSSKZIYCSDAOJD-UHFFFAOYSA-N, RSSKZIYCSDAOJD-UHFFFAOYSA-O
InChI InChI=1S/C7H5Cl2NO2.H3N/c8-3-1-4(7(11)12)6(9)5(10)2-3;/h1-2H,10H2,(H,11,12);1H3, InChI=1S/C7H5Cl2NO2.H3N/c8-3-1-4(7(11)12)6(9)5(10)2-3;/h1-2H,10H2,(H,11,12);1H3/p+1
IUPAC name 3-amino-2,5-dichloro-benzoic acid;ammonia, 3-amino-2,5-dichlorobenzoic acid;ammonia, 3-amino-2,5-dichlorobenzoic acid;azane, ammonium 3-amino-2,5-dichloro-benzoate, ammonium 3-amino-2,5-dichloro-benzoic acid, ammonium 3-amino-2,5-dichlorobenzoate, ammonium 3-amino-2,5-dichlorobenzoic acid, azane;3-azanyl-2,5-bis(chloranyl)benzoic acid, azanium 3-amino-2,5-dichlorobenzoate, azanium 3-amino-2,5-dichlorobenzoic acid, azanium 3-azanyl-2,5-bis(chloranyl)benzoate, azanium 3-azanyl-2,5-bis(chloranyl)benzoic acid
Molecular formula C7H8Cl2N2O2, C7H9Cl2N2O2+
SMILES C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl.N, C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl.[NH4+], C1=C(C=C(C(=C1C(=O)[O-])Cl)N)Cl.[NH4+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fa41e4af-09c8-4f93-ba8b-598fa6105387 ammonium 3-amino-2,5-dichlorobenzoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ammonium 3-amino-2,5-dichlorobenzoate Emissions/Emissions to water/Emissions to water, unspecified 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=ammonium3-amino-2,5-dichlorobenzoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1076-46-6; added Common Chemistry CAS names as altLabel: Amiben ammonium salt, Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt, Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt (1:1), Benzoic acid, 3-amino-2,5-dichloro-, monoammonium salt, Chloramben ammonium salt, Chloramben-ammonium; object_uuid=fo-02d852f2ce0148da
cas_match_labels 1 consensus_match group_key=ammonium3-amino-2,5-dichlorobenzoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1076-46-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d852f2ce0148da: {'1076-46-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Amiben ammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 3-amino-2,5-dichloro-, monoammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloramben ammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloramben-ammonium', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ammonium3-amino-2,5-dichlorobenzoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1076-46-6; added Common Chemistry CAS names as altLabel: Amiben ammonium salt, Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt, Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt (1:1), Benzoic acid, 3-amino-2,5-dichloro-, monoammonium salt, Chloramben ammonium salt, Chloramben-ammonium; object_uuid=fo-02d852f2ce0148da
cas_match_labels None {'1076-46-6': 'exactMatch'} group_key=ammonium3-amino-2,5-dichlorobenzoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1076-46-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d852f2ce0148da: {'1076-46-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fa41e4af-09c8-4f93-ba8b-598fa6105387",
  "name": null,
  "cas_numbers": [
    "1076-46-6"
  ],
  "ec_numbers": [
    "214-062-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "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": 78.355
    },
    {
      "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": 78.355
    }
  ],
  "source": "EF 3.1",
  "identifier": "fa41e4af-09c8-4f93-ba8b-598fa6105387",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "fa41e4af-09c8-4f93-ba8b-598fa6105387",
      "source_flow_name": "ammonium 3-amino-2,5-dichlorobenzoate",
      "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 water",
          "Emissions to water, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Ammonium 3-amino-2,5-dichlorobenzoate",
      "@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-wate-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": [
        "C7H8Cl2N2O2",
        "C7H9Cl2N2O2+"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102",
          "CID:57483974",
          "CID:68113353"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RSSKZIYCSDAOJD-UHFFFAOYSA-N",
        "RSSKZIYCSDAOJD-UHFFFAOYSA-O"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102",
          "CID:57483974",
          "CID:68113353"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl.N",
        "C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl.[NH4+]",
        "C1=C(C=C(C(=C1C(=O)[O-])Cl)N)Cl.[NH4+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102",
          "CID:57483974",
          "CID:68113353"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C7H5Cl2NO2.H3N/c8-3-1-4(7(11)12)6(9)5(10)2-3;/h1-2H,10H2,(H,11,12);1H3",
        "InChI=1S/C7H5Cl2NO2.H3N/c8-3-1-4(7(11)12)6(9)5(10)2-3;/h1-2H,10H2,(H,11,12);1H3/p+1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102",
          "CID:57483974",
          "CID:68113353"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-amino-2,5-dichloro-benzoic acid;ammonia",
        "3-amino-2,5-dichlorobenzoic acid;ammonia",
        "3-amino-2,5-dichlorobenzoic acid;azane",
        "ammonium 3-amino-2,5-dichloro-benzoate",
        "ammonium 3-amino-2,5-dichloro-benzoic acid",
        "ammonium 3-amino-2,5-dichlorobenzoate",
        "ammonium 3-amino-2,5-dichlorobenzoic acid",
        "azane;3-azanyl-2,5-bis(chloranyl)benzoic acid",
        "azanium 3-amino-2,5-dichlorobenzoate",
        "azanium 3-amino-2,5-dichlorobenzoic acid",
        "azanium 3-azanyl-2,5-bis(chloranyl)benzoate",
        "azanium 3-azanyl-2,5-bis(chloranyl)benzoic acid"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102",
          "CID:57483974",
          "CID:68113353"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J217.196A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57483974;CAS:1076-46-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1076-46-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.012.785",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102;CAS:1076-46-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1076-46-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1076-46-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102;CAS:1076-46-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1076-46-6]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7032686",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102;CAS:1076-46-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1076-46-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F67I3KM21M",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102;CAS:1076-46-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1076-46-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/14102",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102;CAS:1076-46-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1076-46-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57483974",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57483974;CAS:1076-46-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1076-46-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/68113353",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:68113353;CAS:1076-46-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1076-46-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27277702",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14102;CAS:1076-46-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1076-46-6]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Amiben ammonium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1076-46-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1076-46-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1076-46-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1076-46-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt (1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1076-46-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1076-46-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 3-amino-2,5-dichloro-, monoammonium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1076-46-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1076-46-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloramben ammonium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1076-46-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1076-46-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloramben-ammonium",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1076-46-6",
          "https://commonchemistry.cas.org/detail?cas_rn=1076-46-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "1076-46-6": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/fa41e4af-09c8-4f93-ba8b-598fa6105387",
        "skos:prefLabel": "ammonium 3-amino-2,5-dichlorobenzoate",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fa41e4af-09c8-4f93-ba8b-598fa6105387"
      },
      "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-02d852f2ce0148da"
}