Disodium 8-amino-5-{4-[2-(sulfonatoethoxy)sulfonyl]phenylazo}naphthalene-2-sulfonate
ef8e1f0d-2c84-434e-88e7-98a57fb2897f
Identity
- Substance
- fo-218753bbc8d05d5e Chemical salt
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Unknown
- CAS
- 250688-43-8
- EC
- 432-080-1
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unknown
Alternative labels
2- 1-Naphthalenesulfonic acid, 4-amino-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:2)
- 1-Naphthalenesulfonic acid, 4-amino-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium salt
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | ef8e1f0d-2c84-434e-88e7-98a57fb2897f | disodium 8-amino-5-{4-[2-(sulfonatoethoxy)sulfonyl]phenylazo}naphthalene-2-sulfonate | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | ef8e1f0d-2c84-434e-88e7-98a57fb2897f | disodium 8-amino-5-{4-[2-(sulfonatoethoxy)sulfonyl]phenylazo}naphthalene-2-sulfonate | Emissions/Emissions to water/Emissions to water, unspecified | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 892.05 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 892.05 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 892.05 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 892.05 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 6.1127e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 6.1127e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 6.1127e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 6.1127e-08 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
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