Consensus flow list

Identity

Type
Molecular complex
CAS
2961-62-8
EC
220-995-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 4-hydroxy-3,5-diiodophenylcyanide

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GQOMRUQZQBMANH-UHFFFAOYSA-N, QGKPUZOFTJQTHL-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C7H3I2NO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;
IUPAC name chemrof:IUPAC_name Sodium 4-hydroxy-3,5-diiodophenylcyanide
Molecular formula chemrof:molecular_formula C7H2I2NNaO, C7H3I2NNaO
SMILES string chemrof:smiles_string N#Cc1cc(I)c(O)c(I)c1.[Na]

Known URLs

7

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=2961-62-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.087 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0058354 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YJ5PH80ES6 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.043K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23666695 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27294544 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
e1e67615-3675-4b8b-98c3-b9ad72a82992 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ce02aefa-7315-4142-abcf-d3e064fba53f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5a3992ad-c9be-4c99-8013-b7099b6f0ea9 Environmental → Air → Indoor EF 3.1 kg 2
bc0dcdbd-ec52-4405-b0eb-86643bdb4afd Environmental → Air → Long-term EF 3.1 kg 0
de614c9d-0d14-4877-98d2-2acaaae5e5b2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a7e00c4b-8ce0-4632-9704-be941bfecbf2 Environmental → Air → Unknown EF 3.1 kg 2
6e2236c8-71e5-493a-8c3d-939843a55da2 Environmental → Ground → Agricultural EF 3.1 kg 2
adc15ef5-d49b-4a2a-9758-73f5619b5ee7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2308f532fc3bbe98e60d809e38d328834d436c97 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
b6a59e41-2497-4a0a-bc9f-ff2c119226f7 Environmental → Ground → Unknown EF 3.1 kg 2
6792a644-a53b-445c-bbe9-dc25d126b81e Environmental → Water → Long-term EF 3.1 kg 0
73aa0ae5-013f-49c6-9939-72550f65307c Environmental → Water → Ocean EF 3.1 kg 2
e8bc53cf-5ba2-4120-8002-c3c3a5dc8fe3 Environmental → Water → Surface water EF 3.1 kg 2
d4ec8d4e-250a-4ef9-94a6-9527724be8d9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-caaf33d7b208785d",
  "prefLabel": [
    {
      "@value": "Sodium 4-hydroxy-3,5-diiodophenylcyanide",
      "@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": "2,6-Diiodo-4-cyanophenol sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2961-62-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Diiodo-4-hydroxybenzonitrile sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2961-62-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzonitrile, 4-hydroxy-3,5-diiodo-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzonitrile, 4-hydroxy-3,5-diiodo-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2961-62-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ioxynil sodium",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium, (4-cyano-2,6-diiodophenoxy)-",
      "@language": "en",
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      "provenance": {
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      }
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  ],
  "properties": {
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      "@value": [
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          "enrich_references.pubchem_semantic"
        ],
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        ]
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      "rdfs:label": "Molecular formula",
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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            "N#Cc1cc(I)c(O)c(I)c1.[Na]"
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        }
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H3I2NO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;"
      ],
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N#Cc1cc(I)c(O)c(I)c1.[Na]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C7H3I2NO.Na/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "Sodium 4-hydroxy-3,5-diiodophenylcyanide": [
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        ]
      }
    }
  },
  "references": [
    {
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  ],
  "created_from": {
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    "seed_uuid": "5a3992ad-c9be-4c99-8013-b7099b6f0ea9",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
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}

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