Dihydrogen (ethyl)[4-[4-[ethyl(3-sulphonatobenzyl)]amino]-2'-sulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, Disodium Salt
fo-db0cf3e2f60fa01e
Identity
- Type
- Chemical salt
- CAS
- 3844-45-9
- EC
- 223-339-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
![Structure diagram for Dihydrogen (ethyl)[4-[4-[ethyl(3-sulphonatobenzyl)]amino]-2'-sulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, Disodium Salt](/flow-objects/fo-db0cf3e2f60fa01e/structure.svg)
Alternative labels
44- Acid Blue 9
- Basacid Blue 756 Liquid
- Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt
- Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt
- Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)
- Blue FCF
- Blue No. 1
- Brilliant Blue
- Brilliant Blue E 133
- Brilliant Blue FCF
- Brilliant Blue FCF Supra
- Brilliant Blue FCF, disodium salt
- C.I. Acid Blue 9, disodium salt
- C.I. Food Blue 2
- Canacert Brilliant Blue FCF
- D and C Blue No. 1
- D&C Blue No. 1
- Disodium erioglaucine
- Dolkwal Brilliant Blue
- Duasyn Acid Blue AE 02
- E133 Brilliant Blue FCF Granular
- E133 Granular
- Erioglaucine disodium salt
- FD and C Blue 1
- FD and C Blue No. 1
- FD&C Blue No. 1
- FDC Blue 1
- Food Blue 2 CI 42090
- Food Blue Dye No. 1
- Food Brilliant blue
- Hexacol Brilliant Blue A
- Iragon Blue ABL9 HFC
- Iragon Blue ABL9-L HFC
- Japan Blue 1
- Japan Blue No. 1
- Japan Food Blue 1
- Japan Food Blue No. 1
- K-RCP-B 1AL
- Kayaset Blue J-FG
- Puricolor Blue ABL 9
- Sicovit Brilliant Blue 85E133
- Unicert Blue O 5601J
- Usacert Blue No. 1
- Usacert FD and C Blue No. 1
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SGHZXLIDFTYFHQ-UHFFFAOYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2 |
| IUPAC name chemrof:IUPAC_name | disodium;2-[[4-[ethyl-(3-sulfonatobenzyl)amino]phenyl]-[4-[ethyl-(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene]methyl]besylate, disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate, disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonate, disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate |
| Molecular formula chemrof:molecular_formula | C37H34N2Na2O9S3, C37H34N2O9S3.2Na |
| Molecular mass chemrof:molecular_mass | 792.865 |
| Monoisotopic mass chemrof:monoisotopic_mass | 792.12218, 792.122182 |
| SMILES string chemrof:smiles_string | CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2S(=O)(=O)[O-])cc1.[Na+].[Na+] |
Known URLs
13Where 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=3844-45-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82411 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2020189 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184128 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PPQ093M8HR | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19352 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19352 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C71674 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/19700 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1310605 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1807340 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q420093 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Brilliant_blue_FCF | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1d04e435-c48c-47cb-b6f6-de99c4bcfc18 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 06ebbf81-55ed-46c7-8498-cd8b61cb9506 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| eafc8950-fc6e-4d1d-9701-453a6a88bc17 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 31a6ea4d-d3e1-4576-afb7-4175ab8cf1c5 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 317a065d-0e28-40eb-87c1-897c45771dae | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 66e8dc62-a9d9-48a0-bb71-bd8fda4f46b0 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| b7620cfb-7fe3-4518-a0b8-050ae0396827 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4ec1a115-4c9a-429e-8911-67dbff853733 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| c9455591-665b-45e5-a1e9-84de3ac6ff01 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 2d72262c-bb4c-4604-855b-c04786ddada8 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 945f4b5b-b42c-4549-bd6c-73f335cd631b | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 081e951f-e83b-4e20-ae9e-7fc5d89ae546 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8b8c09fb-78f1-4f12-9822-a8182f076bfd | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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{
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{
"@value": "Food Blue 2 CI 42090",
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},
{
"@value": "Food Blue Dye No. 1",
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{
"@value": "Food Brilliant blue",
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{
"@value": "Hexacol Brilliant Blue A",
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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