Isonicotinaldehyde Oxime
a755bc19-48de-4a7a-893d-78c06ec572dd
Identity
- Substance
- fo-dc5307e163727452 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Agricultural
- CAS
- 696-54-8
- EC
- 211-796-6
Context
- Dimension
- Environmental
- Geography
- Agricultural
- Media
- Ground
Alternative labels
6- 4-(Hydroxyiminomethyl)pyridine
- 4-Pyridinaldoxime
- 4-Pyridinealdoxime
- 4-Pyridinecarboxaldehyde, oxime
- Isonicotinaldehyde, oxime
- Pyridine-4-carboxaldoxime
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | a755bc19-48de-4a7a-893d-78c06ec572dd | isonicotinaldehyde oxime | 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 | a755bc19-48de-4a7a-893d-78c06ec572dd | isonicotinaldehyde oxime | Emissions/Emissions to soil/Emissions to agricultural soil | exactMatch | — |
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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