Consensus flow list

Identity

Type
Chemical salt
CAS
12008-41-2
EC
234-541-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Disodium Octaborate

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CGCGPGRQKOPVHP-UHFFFAOYSA-N, CLZJMLYRPZBOPU-UHFFFAOYSA-N, UMJBSWIMVVXGOU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/7BH3O3.BHO3.2Na/c8*2-1(3)4;;/h7*2-4H;2H;;/q;;;;;;;-2;2*+1, InChI=1S/B8O13.2Na/c9-1-13-5-15-3(11)17-8-20-6(14-2-10)16-4(12)18-7(19-5)21-8;;/q-2;2*+1, InChI=1S/B8O13.2Na/c9-1-13-5-18-6(14-2-10)20-8-17-4(12)15-3(11)16-7(19-5)21-8;;/q-2;2*+1
IUPAC name chemrof:IUPAC_name disodium;(5,11-dioxido-9-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxo-borane, disodium;(5,11-dioxido-9-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxoborane, disodium;(9,11-dioxido-5-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxo-borane, disodium;(9,11-dioxido-5-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxoborane, disodium;[5,11-bis(oxidanidyl)-9-oxidanylideneboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl]oxy-oxidanylidene-borane, disodium;[9,11-bis(oxidanidyl)-5-oxidanylideneboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl]oxy-oxidanylidene-borane, disodium;boric acid;hydrogen borate, disodium;keto-[(5-ketoboranyloxy-9,11-dioxido-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy]borane, disodium;keto-[(9-ketoboranyloxy-5,11-dioxido-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy]borane
Molecular formula chemrof:molecular_formula B8H22Na2O24, B8Na2O13
SMILES string chemrof:smiles_string B(=O)OB1OB(OB2OB(O1)OB(OB(O2)OB=O)[O-])[O-].[Na+].[Na+], B(=O)OB1OB2OB(OB(OB(O2)OB(O1)OB=O)[O-])[O-].[Na+].[Na+], B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)([O-])[O-].[Na+].[Na+]

Known URLs

10

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=12008-41-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.031.388 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6034390 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JT9XWY98MF enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131635192 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/57347042 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90479350 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126606065 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27281683 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Disodium_octaborate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ac3169ca-1207-4866-8f3b-7fb25d712d19 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
85b3c797-7f73-46f1-a017-8838a99b813f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d63b3ec5-37ad-44a5-898f-52ff16beabf6 Environmental → Air → Indoor EF 3.1 kg 4
a64dc8da-e8be-4da6-a218-1d32ce23d0e6 Environmental → Air → Long-term EF 3.1 kg 0
cf08c0e1-591a-4a92-8773-2b0e9f51bbfc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1e0f3ea8-18ed-4adf-beaf-b1f4641966e4 Environmental → Air → Unknown EF 3.1 kg 4
7c0f10c2-03eb-448c-81f6-72f1f1fd512e Environmental → Ground → Agricultural EF 3.1 kg 4
4482a8ef-c77e-4197-a8b2-2f6cc1bbe1a4 Environmental → Ground → Non-agricultural EF 3.1 kg 4
80fcd834-4527-4e88-b060-4787a52cdbfb Environmental → Ground → Unknown EF 3.1 kg 4
186b6279-90de-423c-83b5-9afa9242c01f Environmental → Water → Long-term EF 3.1 kg 0
1cc7d864-b2c9-4b2e-bbae-23e5733f23ea Environmental → Water → Ocean EF 3.1 kg 4
c9baba44-4ca1-47a7-b407-5a2741902ee5 Environmental → Water → Surface water EF 3.1 kg 4
4b459ede-0782-4dc7-80c9-2138b34880d1 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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      "@value": "BORA-CARE",
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      "@value": "Boron sodium oxide (B8Na2O13)",
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      "@value": "Etidot 67",
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    {
      "@value": "Impel",
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    },
    {
      "@value": "Polybor",
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      }
    },
    {
      "@value": "Sodium borate (B8Na2O13)",
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    },
    {
      "@value": "Sodium borate (Na2B8O13)",
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      }
    },
    {
      "@value": "Sodium octaborate",
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      }
    },
    {
      "@value": "Sodium octaborate (Na2B8O13)",
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    },
    {
      "@value": "TIM Borate",
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "B8H22Na2O24",
        "B8Na2O13"
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          "enrich_references.pubchem_semantic"
        ],
        "B8Na2O13": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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          "prov:hadPrimarySource": [
            "B(=O)OB1OB(OB2OB(O1)OB(OB(O2)OB=O)[O-])[O-].[Na+].[Na+]"
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CGCGPGRQKOPVHP-UHFFFAOYSA-N",
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        "UMJBSWIMVVXGOU-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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            "B(=O)OB1OB(OB2OB(O1)OB(OB(O2)OB=O)[O-])[O-].[Na+].[Na+]"
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      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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        "B(=O)OB1OB2OB(OB(OB(O2)OB(O1)OB=O)[O-])[O-].[Na+].[Na+]",
        "B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)(O)O.B(O)([O-])[O-].[Na+].[Na+]"
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        "InChI=1S/B8O13.2Na/c9-1-13-5-15-3(11)17-8-20-6(14-2-10)16-4(12)18-7(19-5)21-8;;/q-2;2*+1",
        "InChI=1S/B8O13.2Na/c9-1-13-5-18-6(14-2-10)20-8-17-4(12)15-3(11)16-7(19-5)21-8;;/q-2;2*+1"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "disodium;(5,11-dioxido-9-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxo-borane",
        "disodium;(5,11-dioxido-9-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxoborane",
        "disodium;(9,11-dioxido-5-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxo-borane",
        "disodium;(9,11-dioxido-5-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxoborane",
        "disodium;[5,11-bis(oxidanidyl)-9-oxidanylideneboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl]oxy-oxidanylidene-borane",
        "disodium;[9,11-bis(oxidanidyl)-5-oxidanylideneboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl]oxy-oxidanylidene-borane",
        "disodium;boric acid;hydrogen borate",
        "disodium;keto-[(5-ketoboranyloxy-9,11-dioxido-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy]borane",
        "disodium;keto-[(9-ketoboranyloxy-5,11-dioxido-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy]borane"
      ],
      "attested_by": {
        "disodium;(5,11-dioxido-9-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxo-borane": [
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