Brightway Flows 1.0
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Sodium Pentachlorophenolate

fo-e1a3ff255ce1f181

Identity

Type
Molecular complex
CAS
131-52-2
EC
205-025-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium Pentachlorophenolate

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LOPOPQQQPNEPQF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;
Molecular formula chemrof:molecular_formula C6HCl5NaO
Molecular mass chemrof:molecular_mass 289.328
Monoisotopic mass chemrof:monoisotopic_mass 286.836772
SMILES string chemrof:smiles_string C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)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=131-52-2 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87060549 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
38c3821c-e713-4556-a568-6105c3673741 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d00243f3-bb7c-4efb-b3b5-509a6945b9f6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f15953ac-738e-4356-9409-3f3b3f82be2d Environmental → Air → Indoor EF 3.1 kg 2
c4396c51-9185-4c7e-8fee-e9559939b3aa Environmental → Air → Long-term EF 3.1 kg 0
d5e69cb6-f533-42c1-a2e4-5ee9fcc96f08 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6069c885-cc02-458d-842d-b971fa011e98 Environmental → Air → Unknown EF 3.1 kg 2
faf68723-1e9b-4472-9aee-cf9d1c292fb9 Environmental → Ground → Agricultural EF 3.1 kg 2
b25efc73-87a0-4530-bcdb-9f2693e50711 Environmental → Ground → Non-agricultural EF 3.1 kg 2
bddcf65d-1a2b-4399-a1ab-1706995b8707 Environmental → Ground → Unknown EF 3.1 kg 2
d744052c-52f6-497c-a5d0-89da8cfd422d Environmental → Water → Long-term EF 3.1 kg 0
9f63e8de-b756-4080-bb38-103aca65c537 Environmental → Water → Ocean EF 3.1 kg 2
be7a8ce0-b804-4c46-82bc-7f85e66f2a81 Environmental → Water → Surface water EF 3.1 kg 2
2111c871-83dd-4fe3-a151-5cc2417c7806 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 
{
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    {
      "@value": "Witophen N",
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        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "131-52-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=131-52-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=131-52-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "205-025-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=205-025-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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