Disodium Octaborate
fo-6e3b1a8ec88927a3
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
This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
13- BORA-CARE
- Boracol 40
- Boric acid (H2B8O13), disodium salt
- Boron sodium oxide (B8Na2O13)
- Boron sodium oxide (Na2B8O13)
- Etidot 67
- Impel
- Polybor
- Sodium borate (B8Na2O13)
- Sodium borate (Na2B8O13)
- Sodium octaborate
- Sodium octaborate (Na2B8O13)
- TIM Borate
Properties
| Property | Value |
|---|---|
| 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
10Where 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)
Full record
Flow object JSON
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"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",
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