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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Short-term toxicity to fish

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Administrative data

Link to relevant study record(s)

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Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
DANISH QSAR database
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR prediction
GLP compliance:
no
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
>= 0.206 - <= 0.807 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Details on results:
See tables of results below and the report attached
Sublethal observations / clinical signs:

Aquatic toxicity






























 



Exp



Battery



Leadscope



SciQSAR



Fathead minnow 96h LC50 (mg/L)



0.2206347



0.5068014



0.8071437



0.206459



Domain



 



IN



IN



IN



DTU-developed models



 


 




























 



Fish 96h



LC50 (Fish) or EC50 (Daphnid and Algae) for Most Toxic Class (mg/L)



0.721



Max. Log Kow for Most Toxic Class



5



Most Toxic Class



Polynitrobenzenes



EPI ECOSAR models



ECOSAR Classes: Polynitrobenzenes


Validity criteria fulfilled:
yes
Endpoint:
short-term toxicity to fish
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Annex III inventory from ECHA, good reliability
Justification for type of information:
Annex III inventory, Fathead Minnow toxicity model (EPA) and Fish Acute Toxicity model (KNN/Read-Across) in VEGA (Q)SAR platform.
Qualifier:
no guideline available
Principles of method if other than guideline:
Vega QSAR platform, experimental value
GLP compliance:
no
Test organisms (species):
Pimephales promelas
Total exposure duration:
96 h
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
0.22 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Details on results:
Fathead Minnow toxicity model (EPA) in VEGA (Q)SAR platform predicts that the chemical has a 96h LC50 of 0.2205 mg/L (EXPERIMENTAL value). Fish Acute Toxicity model (KNN/Read-Across) in VEGA (Q)SAR platform predicts that the chemical has a 96h LC50 of 0.2213 mg/L (EXPERIMENTAL value)
Validity criteria fulfilled:
yes
Conclusions:
Fathead Minnow toxicity model (EPA) in VEGA (Q)SAR platform predicts that the chemical has a 96h LC50 of 0.2205 mg/L (EXPERIMENTAL value). Fish Acute Toxicity model (KNN/Read-Across) in VEGA (Q)SAR platform predicts that the chemical has a 96h LC50 of 0.2213 mg/L (EXPERIMENTAL value)

Description of key information

Several data were available for this endpoint, coming from the following sources:


- Annex III inventory from ECHA, reporting experimental values compiled in VEGA (Q)SAR platform


- Danish QSAR Database, reporting predictions from DTU-developed and EPI ECOSAR models.


All data range between 0.206459 and 0.80714347 mg/L.


An 96h-LC50 value of 0.22 mg/L is considered as the key value for that endpoint as it is an experimental value. As all data gave similar results, the key value is considered to have good reliability.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish
Dose descriptor:
LC50
Effect concentration:
0.22 mg/L

Additional information