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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model.
See also attached the chemical class information document.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
The ECOSAR User Manual, ECOSAR. A Computer Program for Estimating the Ecotoxicity of Industrial Chemicals (EPA-748-R-93-002)
Estimating Toxicity of Industrial Chemicals to Aquatic Organisms Using Structure Activity Relationships (EPA-748-R-93-001).
ECOSAR v1.11 Methodology Document.
ECOSAR v1.11 Operation Manual.
Specific details on test material used for the study:
SMILES: CC1=CC=NC=C1
Test organisms (species):
Daphnia sp.
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
156.33 mg/L
Nominal / measured:
estimated
Remarks on result:
other: QSAR predicted value

ECOSAR v1.11 class-specific estimation (neutral organics) predicted that the test substance has a 48 h-LC50 to daphnia of 156.330 mg/L.

Validity criteria fulfilled:
not applicable
Conclusions:
The daphnia 48-h LC50 for the test substance was predicted to be 156.33 mg/l (EPI-Suite, ECOSAR v1.11, neutral organics).
Executive summary:

The short-term toxicity to aquatic invertebrates of the test substance was determined by using EPI-Suite, ECOSAR v1.11 class-specific estimation (neutral organics). The daphnia 48-h LC50 for the test substance was predicted to be 156.33 mg/l.

Description of key information

Key Study: Data from EPI-Suite, EPA (USA) / ECOSAR v1.11 class-specific estimation (neutral organics). The test substance has been determined to have a 48-h LC50 to daphnia of 156.330 mg/L.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates
Dose descriptor:
LC50
Effect concentration:
156.33 mg/L

Additional information