Consensus flow list

Dipotassium Tetraborate

fo-ad9b4b4de3d3c29e

Identity

Type
Molecular complex
CAS
1332-77-0
EC
215-575-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Dipotassium Tetraborate

This substance carries 4 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DXMRKRXRMGYFDG-UHFFFAOYSA-N, FZQSLXQPHPOTHG-UHFFFAOYSA-N, KRHIGIYZRJWEGL-UHFFFAOYSA-N, LXPHFBNYEDWVML-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/4BO3.12K/c4*2-1(3)4;;;;;;;;;;;;/q4*-3;12*+1, InChI=1S/B4H2O7.2K/c5-1-8-3-10-4(11-3)9-2(6)7;;/h6-7H;;, InChI=1S/B4O7.2K/c5-1-7-3-9-2(6)10-4(8-1)11-3;;/q-2;2*+1, InChI=1S/BHO3.2K/c2-1(3)4;;/h2H;;/q-2;2*+1
IUPAC name chemrof:IUPAC_name dipotassium;3,7-bis(oxidanidyl)-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane, dipotassium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane, dipotassium;hydrogen borate, dodecapotassium;tetraborate
Molecular formula chemrof:molecular_formula B4H2K2O7, B4K12O12, B4K2O7, BHK2O3, H2B4K2O7
SMILES string chemrof:smiles_string B(=O)OB1OB(O1)OB(O)O.[K].[K], B(O)([O-])[O-].[K+].[K+], B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+], B1(OB2OB(OB(O1)O2)[O-])[O-].[K+].[K+]

Known URLs

9

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=1332-77-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.160 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2052782 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZV5114S322 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/129893636 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18974384 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21225922 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9816075 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15627938 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cae076b4-8861-4ea9-8ec6-446189fd9487 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
86acbec6-5036-4c31-a7fc-d0a5cd767554 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5d103632-8d57-482f-844a-48c83528bc5d Environmental → Air → Indoor EF 3.1 kg 4
728d5318-a7d1-4641-b935-b7f525a7526e Environmental → Air → Long-term EF 3.1 kg 0
bc653029-162f-48bd-862a-f5ab56531701 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8881ebbb-b457-4607-b1d8-c06f2033d82b Environmental → Air → Unknown EF 3.1 kg 4
4628bc4f-cf2d-4fbb-8e6b-a22d7579f850 Environmental → Ground → Agricultural EF 3.1 kg 4
7258d299-656d-4a26-8184-49046fb4100c Environmental → Ground → Non-agricultural EF 3.1 kg 4
1063f2c7-8fad-48b3-9c85-99cb1901c712 Environmental → Ground → Unknown EF 3.1 kg 4
7d854b01-d695-471a-92b6-ba165a1f9b74 Environmental → Water → Long-term EF 3.1 kg 0
9b6eaf28-50ee-472c-aa6f-3f11d5633f73 Environmental → Water → Ocean EF 3.1 kg 4
0316dcd0-3110-4622-b3f4-9bbed8d6f06f Environmental → Water → Surface water EF 3.1 kg 4
be814c38-652b-4085-8a59-5346cadeeeff Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "215-575-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=215-575-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "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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