Consensus flow list

Identity

Type
Chemical salt
CAS
831-52-7
EC
212-603-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for Sodium 2-amino-4,6-dinitrophenolate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OIJIRTIOAFLALM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5N3O5.Na/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;
Molecular formula chemrof:molecular_formula C6H5N3NaO5
Molecular mass chemrof:molecular_mass 222.112
Monoisotopic mass chemrof:monoisotopic_mass 222.01269
SMILES string chemrof:smiles_string C1=C(C=C(C(=C1N)O)[N+](=O)[O-])[N+](=O)[O-].[Na]

Known URLs

2

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=831-52-7 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/45157719 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
be190e13-2e9a-46e4-b7c9-beea05e86324 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c8f9bbb7-0336-44a7-aa8d-8cb467820eee Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8acb221a-6ad9-42ab-9c3b-e39349bca8ca Environmental → Air → Indoor EF 3.1 kg 2
a7a063c3-8bfd-470f-901a-186ec1f1b04e Environmental → Air → Long-term EF 3.1 kg 0
3f3c601f-d54a-44b7-bcb1-64f7793e2c03 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
98f91707-0cb4-45a7-9619-92271171ec71 Environmental → Air → Unknown EF 3.1 kg 2
f67f56ce-377a-4e5c-b695-5984449f7400 Environmental → Ground → Agricultural EF 3.1 kg 2
db1a6b4a-18e4-43d6-a6a1-20973d7a62b2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
afedd726-be5e-458e-a337-347a441f8f47 Environmental → Ground → Unknown EF 3.1 kg 2
53531f65-7da1-4c4e-a364-b6ce6f17946b Environmental → Water → Long-term EF 3.1 kg 0
c0313d57-b509-4fdb-b415-4303fc820348 Environmental → Water → Ocean EF 3.1 kg 2
8fd36be8-1524-4540-a008-f7c6b1ce136a Environmental → Water → Surface water EF 3.1 kg 2
6074e6ea-ab70-426e-ac4e-f933a0e2626c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c4f7d042d4e3c64e",
  "prefLabel": [
    {
      "@value": "Sodium 2-amino-4,6-dinitrophenolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Phenol, 2-amino-4,6-dinitro-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=831-52-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2-amino-4,6-dinitro-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=831-52-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Picramic acid, sodium deriv.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=831-52-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 6-amino-2,4-dinitrophenolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium picramate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium, (2-amino-4,6-dinitrophenoxy)-",
      "@language": "en",
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      "provenance": {
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      }
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  ],
  "properties": {
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      "@value": [
        "C6H5N3NaO5"
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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            "C1=C(C=C(C(=C1N)O)[N+](=O)[O-])[N+](=O)[O-].[Na]"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "OIJIRTIOAFLALM-UHFFFAOYSA-N"
      ],
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      "rdfs:label": "InChIKey",
      "provenance": [
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        {
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=C(C=C(C(=C1N)O)[N+](=O)[O-])[N+](=O)[O-].[Na]"
      ],
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      },
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          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
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            "C1=C(C=C(C(=C1N)O)[N+](=O)[O-])[N+](=O)[O-].[Na]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H5N3O5.Na/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;"
      ],
      "attested_by": {
        "InChI=1S/C6H5N3O5.Na/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;": [
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      },
      "rdfs:label": "InChI",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "C1=C(C=C(C(=C1N)O)[N+](=O)[O-])[N+](=O)[O-].[Na]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "C1=C(C=C(C(=C1N)O)[N+](=O)[O-])[N+](=O)[O-].[Na]"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "C1=C(C=C(C(=C1N)O)[N+](=O)[O-])[N+](=O)[O-].[Na]"
          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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  },
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  "created_from": {
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    "seed_uuid": "3f3c601f-d54a-44b7-bcb1-64f7793e2c03",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
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      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
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  },
  "classifications": {
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        "831-52-7"
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "parent_intervention_id": null,
  "@type": [
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  ]
}

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