Disodium Hydrogen Bis[(e)-3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]naphthalene-1-sulphonate]chromate(3-)
fo-77e89ebdadff1647
Identity
- Type
- Neutral molecule
- CAS
- 12392-64-2
- EC
- 235-628-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
68- 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, chromium complex
- Acid Blue 161
- Acid Blue 193
- Acid Blue D-JR
- Acid Blue MTR
- Acid Blue RTN
- Acid Blue-193
- Acid Dark Blue MS
- Acid Dark Blue MTR
- Acidol Dark Blue M-TR
- Airedale Fast Blue
- Aizen Opal Blue BH
- Anadurm Blue S-R
- Bemaplex Marine Blue C-RD
- Borulan Navy Blue RL
- C.I. Acid Blue 161
- C.I. Acid Blue 193
- Chromacyl Blue R
- Chromate(3-), bis[3-(hydroxy-κO)-4-[2-[2-(hydroxy-κO)-1-naphthalenyl]diazenyl-κN1]-1-naphthalenesulfonato(3-)]-, sodium hydrogen (1:2:1)
- Chromate(3-), bis[3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonato(3-)]-, disodium hydrogen
- Chrome Intra Blue 2R
- Cololan Navy Blue RL
- Coriamine Fast Navy Blue S-RL
- Cromoxyl Blue WB
- Dermacid Blue MTR
- Desher Blue G
- Dinalan Dark Blue MTR
- Dyalan Blue S-R
- Dycosacid Complex Blue BN
- Efdolan Blue BN
- Erganil Blue BC
- Eurolana Blue SB
- Gryfalan Garnet RL
- Gryfalan Navy Blue RL
- Irgalan Blue 2R
- Kemacid Dark Blue MTR
- Koroset Blue R
- Lanasyn Blue S-DNL
- Lanasyn Navy M-DNL
- Lanasyn Navy S-DNL
- Lanyl Navy Blue TW
- Lederos S 2 Blue G
- Luganil Blue MRB
- Magra Dark Blue MTR
- Navidol Dark Blue MTR
- Navitan Dark Blue MTR
- Navy M-BRX
- Neutrilan Blue M-BR
- Neutrilan Navy M-BR
- Neutrilan Navy M-BRX
- Orbolan Marine Blue S-RL
- Pacid Navy Blue RL
- Palatine Fast Blue BN
- Pharmalan Navy Blue B
- Pilate Fast Blue BN
- Rathidol Dark Blue M-TR
- Ratna Acid Blue MTR
- Roven S 2 Blue G
- Rylan Blue T 2R
- Rylan Blue TR
- Solcorom Dark Blue PMTR
- Stelane Navy Blue 2SB
- Tertroxane Blue B
- Triamet Blue 2R
- Triasolan Blue DR
- Vicoacid Navy Blue RL
- Vopsider Dark Blue MMTR
- Yamada Neo Fast Blue B
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ZQWICJYATMSSSD-QUABFQRHSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1/b22-21+; |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O=S(=O)([O][Na])c1cc(O)c(/N=N/c2c(O)ccc3ccccc23)c2ccccc12 |
| Molecular formula chemrof:molecular_formula | C20H13N2NaO5S |
| Molecular mass chemrof:molecular_mass | 416.39 |
| Monoisotopic mass chemrof:monoisotopic_mass | 416.044287, 416.04429 |
| SMILES string chemrof:smiles_string | O=S(=O)([O][Na])c1cc(O)c(N=Nc2c(O)ccc3ccccc23)c2ccccc12 |
Known URLs
2Where 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=12392-64-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:747102 | enrich_references.chebi_id_link |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a08d1e9a-55c9-4d9c-a273-e1bf39874df3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4745e376-923c-4ecd-87cd-09fc9491bc2c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 779c28bf-4534-47ab-a3e4-c4c60c8a9965 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 3df54c89-be5c-40da-8e8c-2fc1c5d62106 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c4d86bf6-5086-4d41-8c3b-a10be94a7543 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| d07472f5-a3ad-4d03-b097-ee3d388e71c2 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 0ab28f78-d77f-4e16-be4d-5387f4186caa | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 67c43cfc-2694-4bcf-bb1e-1b1ced7bcacb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fa4c39fb-bf5d-4ab2-be25-1105ca8f536b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b233d2be-36da-4859-b2b0-b86d20f8aa08 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 7e63cfd4-8b50-48d9-8c82-a8e43128bb71 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4db6a50d-7612-45a3-a2c1-2f1d2d7420e7 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 81f8d134-9246-4788-a1a6-a98304d4e986 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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{
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{
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{
"@value": "Dyalan Blue S-R",
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{
"@value": "Dycosacid Complex Blue BN",
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{
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{
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{
"@value": "Irgalan Blue 2R",
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{
"@value": "Kemacid Dark Blue MTR",
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{
"@value": "Koroset Blue R",
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