Ammonium 3-amino-2,5-dichlorobenzoate

← Back to consensus flows

Ammonium 3-amino-2,5-dichlorobenzoate

UUID 0254c22c-e742-415b-8fca-73b6e05b7f96

Flow Object ID fo-02d852f2ce0148da

Source EF 3.1

Context Environmental → Air → High stack, >150 meters

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	`0254c22c-e742-415b-8fca-73b6e05b7f96`	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 air/Emissions to non-urban air or from high stacks	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

Attribute	Value
dimension	Environmental
media	Air
strata	High stack, >150 meters

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": "0254c22c-e742-415b-8fca-73b6e05b7f96",
  "name": null,
  "cas_numbers": [
    "1076-46-6"
  ],
  "ec_numbers": [
    "214-062-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "High stack, >150 meters"
  },
  "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": 17.236
    },
    {
      "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": 17.236
    }
  ],
  "source": "EF 3.1",
  "identifier": "0254c22c-e742-415b-8fca-73b6e05b7f96",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "0254c22c-e742-415b-8fca-73b6e05b7f96",
      "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 air",
          "Emissions to non-urban air or from high stacks"
        ]
      }
    }
  ],
  "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-air-hist15me",
  "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/0254c22c-e742-415b-8fca-73b6e05b7f96",
        "skos:prefLabel": "ammonium 3-amino-2,5-dichlorobenzoate",
        "context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/0254c22c-e742-415b-8fca-73b6e05b7f96"
      },
      "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"
}