Rhodamine 6G
fo-b41f6b02cd83d5fe
Identity
- Type
- Chemical salt
- CAS
- 989-38-8
- EC
- 213-584-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
52- 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid, ethyl ester, monohydrochloride
- 6-Carboxyrhodamine
- 6GDN
- 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride
- 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium chloride
- 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium Chloride
- Aizen Rhodamine 6GCP
- Basic Red 1
- Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride
- C.I. Basic Red 1
- Calcozine Red 6G
- Calcozine Rhodamine 6GX
- Eljon Pink Toner
- Fanal Pink B
- Fanal Pink GFK
- Heliostable Brilliant Pink B extra
- Mitsui Rhodamine 6GCP
- Nyco Liquid Red GF
- R6G
- Rhodamin 6G
- Rhodamine 4GD
- Rhodamine 4GH
- Rhodamine 5GDN
- Rhodamine 5GDN Extra
- Rhodamine 5GL
- Rhodamine 6G chloride
- Rhodamine 6G Extra
- Rhodamine 6G Extra Base
- Rhodamine 6GB
- Rhodamine 6GBN
- Rhodamine 6GCP
- Rhodamine 6GD
- Rhodamine 6GDN
- Rhodamine 6GDN Extra
- Rhodamine 6GEx ethyl ester
- Rhodamine 6GH
- Rhodamine 6GO
- Rhodamine 6GX
- Rhodamine 6JH
- Rhodamine 6JH-SA
- Rhodamine 6JH-SA Extra 1150
- Rhodamine 6Zh-DN
- Rhodamine F 5G
- Rhodamine F 5GL
- Rhodamine GDN
- Rhodamine GDN Extra
- Rhodamine Y 20-7425
- Rhodamine Zh
- Silosuper Pink B
- Vali Fast Red 1308
- Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride
- Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride (1:1)
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VYXSBFYARXAAKO-UHFFFAOYSA-N, XFKVYXCRNATCOO-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1 |
| IUPAC name chemrof:IUPAC_name | 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride |
| Molecular formula chemrof:molecular_formula | C28H31ClN2O3, C28H31N2O3.Cl |
| SMILES string chemrof:smiles_string | CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C.[Cl-] |
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 |
|---|---|---|
| beilstein | beilstein:3900071 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=989-38-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:52672 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1021243 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03825 | enrich_references.chebi_xrefs |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5305690 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/037VRW83CF | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11177 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11177 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13806 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 025eb719-9440-43d9-b03b-767517349738 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| c358c7f3-077d-4aa3-a1ee-b06eea73c6f0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| b8a669a1-9f89-490a-b83e-b4e2826e770b | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| 2c3b1a69-d682-4da1-81ff-046a1ffacc8c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f33e173e-7d3e-404e-ad3a-d26ebfefcc49 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 4412cbbb-282f-4113-9311-2e4645641de5 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 44f7c49e-00c1-43bb-b052-27b68d4cd61f | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 882ab6ca-08ae-4e5f-91ed-f49815c699fd | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 6f5fa9ae-06b1-42ca-b65d-1cd70aa4e8a5 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| d015f22d-de8b-42db-8474-dcc00c88853a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3444a53c-5686-41b0-ab03-85b0563ee473 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 6f332e3a-aca3-4a83-8785-99c499fa32cc | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 0b7cc6af-a77d-428a-aaed-b4cf057584e0 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-b41f6b02cd83d5fe",
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{
"@value": "Rhodamine 6G",
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{
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{
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{
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{
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{
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{
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},
{
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{
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},
{
"@value": "Heliostable Brilliant Pink B extra",
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},
{
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},
{
"@value": "Nyco Liquid Red GF",
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},
{
"@value": "R6G",
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{
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},
{
"@value": "Rhodamine 4GD",
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},
{
"@value": "Rhodamine 4GH",
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},
{
"@value": "Rhodamine 5GDN",
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},
{
"@value": "Rhodamine 5GDN Extra",
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},
{
"@value": "Rhodamine 5GL",
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}
},
{
"@value": "Rhodamine 6G chloride",
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},
{
"@value": "Rhodamine 6G Extra",
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},
{
"@value": "Rhodamine 6G Extra Base",
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},
{
"@value": "Rhodamine 6GB",
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},
{
"@value": "Rhodamine 6GBN",
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},
{
"@value": "Rhodamine 6GCP",
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},
{
"@value": "Rhodamine 6GD",
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},
{
"@value": "Rhodamine 6GDN",
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},
{
"@value": "Rhodamine 6GDN Extra",
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},
{
"@value": "Rhodamine 6GEx ethyl ester",
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},
{
"@value": "Rhodamine 6GH",
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},
{
"@value": "Rhodamine 6GO",
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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