Registration Dossier

Ecotoxicological information

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
key study
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 adequate and reliable documentation / justification
Remarks:
QSAR
Justification for type of information:
QSAR

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4-nitrobenzoic acid
EC Number:
200-526-2
EC Name:
4-nitrobenzoic acid
Cas Number:
62-23-7
Molecular formula:
C7H5NO4
IUPAC Name:
4-nitrobenzoic acid
Test material form:
solid: crystalline

Results and discussion

Effect concentrations
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
ca. 420 mg/L
Conc. based on:
other: QSAR
Remarks on result:
other: QSAR
Remarks:
QSAR
Details on results:
Computational tool: ACD/Percepta
The acute toxicity on Daphnia was estimated by using ACD/Percepta Aquatic toxicity module (LC50
Daphnia magna QSAR model). ACD/Percepta model for aquatic toxicity calculates acute toxicity expressed
as LC50 value for water fleas (Daphnia magna), based on the GALAS methodology. The reliability of
prediction is assessed in terms of reliability index (RI).

Applicant's summary and conclusion

Validity criteria fulfilled:
no
Conclusions:
Prediction 48-h LC50 (Daphnia magna) equal to 420 mg/l. It has not met GHS criteria. The target compound 4-nitrobenzoic acid is included in the model applicability domain
since the RI is greater than 0.3 (RI equal to 0.7).
Executive summary:

Prediction 48-h LC50 (Daphnia magna) equal to 420 mg/l. It has not met GHS criteria.

The acute toxicity on Daphnia was estimated by using ACD/Percepta Aquatic toxicity module (LC50
Daphnia magnaQSAR model). ACD/Percepta model for aquatic toxicity calculates acute toxicity expressed
as LC
50value for water fleas (Daphnia magna), based on the GALAS methodology. The reliability of
prediction is assessed in terms of reliability index (RI).

The target compound 4-nitrobenzoic acid is included in the model applicability domain since the RI is greater than 0.3 (RI equal to 0.7).