2,3,4,5-tetrachlorobenzoyl Chloride
d361baf8-c0b8-42b1-bf1f-6181834bea2f
Identity
- Substance
- fo-b04116df67e1c286 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Non-agricultural
- CAS
- 42221-52-3
- EC
- 406-760-3, 609-997-2
Context
- Dimension
- Environmental
- Geography
- Non-agricultural
- Media
- Ground
Alternative labels
1- Benzoyl chloride, 2,3,4,5-tetrachloro-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | d361baf8-c0b8-42b1-bf1f-6181834bea2f | 2,3,4,5-tetrachlorobenzoyl chloride | 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 | d361baf8-c0b8-42b1-bf1f-6181834bea2f | 2,3,4,5-tetrachlorobenzoyl chloride | Emissions/Emissions to soil/Emissions to non-agricultural soil | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
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 | — | 222.94 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 222.94 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 222.94 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 222.94 | 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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