2,3,4,5-tetrachlorobenzoyl Chloride
078b386f-0bfb-4a08-95b2-28b1dd51d5b8
Identity
- Substance
- fo-b04116df67e1c286 Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)
- CAS
- 42221-52-3
- EC
- 406-760-3, 609-997-2
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Rural (<1000 people/square mile)
- Strata
- Medium stack, <150 meters
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 | 078b386f-0bfb-4a08-95b2-28b1dd51d5b8 | 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 | 078b386f-0bfb-4a08-95b2-28b1dd51d5b8 | 2,3,4,5-tetrachlorobenzoyl chloride | Emissions/Emissions to air/Emissions to non-urban air or from high stacks | 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 | — | 49.899 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 49.899 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 49.899 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 49.899 | 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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