7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic Acid, Sodium Salt
281bb03a-ff58-456b-a751-fd6c31bbac5e
Identity
- Substance
- fo-21d0a02e5fb05fd6 Chemical salt
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Unknown
- CAS
- 85536-87-4
- EC
- 287-574-8
Context
- Dimension
- Environmental
- Geography
- Unknown
- Media
- Ground
Alternative labels
2- 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:?)
- 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, sodium salt
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 281bb03a-ff58-456b-a751-fd6c31bbac5e | 7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid, sodium salt | 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 | 281bb03a-ff58-456b-a751-fd6c31bbac5e | 7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid, sodium salt | Emissions/Emissions to soil/Emissions to soil, 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 | — | 302.3 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 302.3 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 302.3 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 302.3 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.8863e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.8863e-08 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.8863e-08 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.8863e-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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