Registration Dossier
Registration Dossier
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EC number: 619-308-7 | CAS number: 97963-62-7
Short-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
ECOSAR
2. MODEL (incl. version number)
ECOSAR v1.00a U.S. Environmental Protection Agency. [Internet download], 1.3.2011. Available from: http://www.epa.gov/oppt/newchems/tools/21ecosar.htm
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
S=C1NC2=CC(OC(F)F)=CC=C2N1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint:
- Unambiguous algorithm:
- Defined domain of applicability:
- Appropriate measures of goodness-of-fit and robustness and predictivity:
- Mechanistic interpretation:
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain:
- Structural and mechanistic domains:
- Similarity with analogues in the training set:
- Other considerations (as appropriate):
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- ECOSAR v1.00a U.S. Environmental Protection Agency. [Internet download], 1.3.2011. Available from: http://www.epa.gov/oppt/newchems/tools/21ecosar.htm
Test material
- Reference substance name:
- 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole
- EC Number:
- 619-308-7
- Cas Number:
- 97963-62-7
- Molecular formula:
- C8H6F2N2OS
- IUPAC Name:
- 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SMILES: S=C1NC2=CC(OC(F)F)=CC=C2N1
Results and discussion
Effect concentrations
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- mg/L
- Remarks on result:
- other: QSAR predicted value
Any other information on results incl. tables
ECOSAR v1.00a predicted EC50, 48 h, for Daphnid is 49.24 mg/L.
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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