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Diss Factsheets
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EC number: 210-095-2 | CAS number: 605-71-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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
- Study period:
- 03 Oct 2017
- Reliability:
- 1 (reliable without restriction)
- 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
- Justification for type of information:
- The (Q)SARs models used in this assessment have been evaluated by the Joint Research Centre (JRC) and the scientific validity of each software established according to five principles recommended by OECD and ECHA for regulatory purposes (Annex XI of the REACH).
At present, a summary of appropriate information on the (Q)SAR models, based on the topics listed below, is not available in a specific reporting format.
• Endpoint, algorithm
• Domain of applicability
• Measures related to goodness-of-fit
• Robustness
• Predictivity and mechanism
However, the adequacy and reliability of each (Q)SAR prediction was checked for each endpoint following the procedures outlined in REACH Annex XI (1.3) in terms of suitability of the model (reliability, relevance for the purpose), applicability of the model to the substance of interest and adequacy of the predicted endpoint for classification and labelling.
The selected set of software models was used to generate the classification for each endpoint listed in Annex VII of the REACH, and wherever possible, including the (Q)SAR models recommended by ECHA for preparation of the Annex III chemical inventory (ECHA, 2016c,d).
See attached for full QPRF and QMRF.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- (Q)SAR analysis no guideline is required
- GLP compliance:
- no
Test material
- Reference substance name:
- 1,5-dinitronaphthalene
- EC Number:
- 210-095-2
- EC Name:
- 1,5-dinitronaphthalene
- Cas Number:
- 605-71-0
- Molecular formula:
- C10H6N2O4
- IUPAC Name:
- 1,5-dinitronaphthalene
- Test material form:
- other: In SIlico
- Details on test material:
- In silico test item
Constituent 1
- Specific details on test material used for the study:
- (Q)SAR - therefore no test material guidelines are applicable.
Sampling and analysis
- Analytical monitoring:
- not required
- Remarks:
- (Q)SAR analysis, not applicable
Test solutions
- Vehicle:
- no
- Remarks:
- (Q)SAR analysis, not applicable
Test organisms
- Test organisms (species):
- other: Daphnia, species not specified - (Q)SAR analysis
- Details on test organisms:
- Daphnia, species not specified - (Q)SAR analysis
Study design
- Test type:
- other: (Q)SAR analysis
Results and discussion
Effect concentrationsopen allclose all
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 7.64 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- other: (Q)SAR
- Basis for effect:
- other: (Q)SAR
- Remarks on result:
- other: OECD Tollbox trend-analysis
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 20.77 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- other: (Q)SAR
- Basis for effect:
- other: (Q)SAR
- Remarks on result:
- other: ECOSAR Model
- Details on results:
- Daphnia acute toxicity model in ECOSAR predicted that 1,5-dinitronapthalene has an EC50 (48h) of 20.77 mg/L. A comparative result of 7.64 mg/L was obtained with good confidence from the trend-analyses performed in the OECD Toolbox (version 4.1). The primary grouping selected was “Aquatic toxicity classification by ECOSAR” and the subsequent sub-categorisation based on “Chemical elements”, structure similarity” and US-EPA New Chemical Categories”.
Any other information on results incl. tables
Daphnia acute toxicity model in ECOSAR predicted that 1,5-dinitronapthalene has an EC50 (48h) of 20.77 mg/L. A comparative result of 7.64 mg/L was obtained with good confidence from the trend-analyses performed in the OECD Toolbox (version 4.1). The primary grouping selected was “Aquatic toxicity classification by ECOSAR” and the subsequent sub-categorisation based on “Chemical elements”, structure similarity” and US-EPA New Chemical Categories”.
The VEGA analysis obtained in the EPA and DEMETRA models were excluded from the evaluation because the results were not reliable.
Assessment of the quality of predictions: The ECOSAR model gave an effect level for Daphnia magna that was inside the water solubility values of 1,5-dinitronapthalene. The analyses performed in both ECOSAR software (version 1.11) or in the Danish QSAR database gave the same result and equally valid predictions which were considered acceptable for the proposes of regulatory classification. Further trend-analyses performed in the OECD Toolbox with the endpoint “Acute Toxicity LC50(48h) Daphnia magna”, estimated a valid EC50 obtained from N=20 point data with an R2 of 0.779.
The EPA or DEMETRA models in the VEGA software gave a result not reliable in both cases because the predicted compound was outside the applicability domain of the model (global AD index = 0.7, and 0.65, respectively).
General follow-up procedure: Overall, there is strong evidence that 1,5-dinitronapthalene is acutely toxic to daphnids and according to the CLP criteria, this substance should be classified as Chronic Toxic category 3 (for crustacea).
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Remarks:
- Valid (Q)SAR models used, molecule is within the applicability domain.
- Conclusions:
- Daphnia acute toxicity model in ECOSAR predicted that 1,5-dinitronapthalene has an EC50 (48h) of 20.77 mg/L. A comparative result of 7.64 mg/L was obtained with good confidence from the trend-analyses performed in the OECD Toolbox (version 4.1). The primary grouping selected was “Aquatic toxicity classification by ECOSAR” and the subsequent sub-categorisation based on “Chemical elements”, structure similarity” and US-EPA New Chemical Categories”.
The VEGA analysis obtained in the EPA and DEMETRA models were excluded from the evaluation because the results were not reliable.
Assessment of the quality of predictions: The ECOSAR model gave an effect level for Daphnia magna that was inside the water solubility values of 1,5-dinitronapthalene. The analyses performed in both ECOSAR software (version 1.11) or in the Danish QSAR database gave the same result and equally valid predictions which were considered acceptable for the proposes of regulatory classification. Further trend-analyses performed in the OECD Toolbox with the endpoint “Acute Toxicity LC50(48h) Daphnia magna”, estimated a valid EC50 obtained from N=20 point data with an R2 of 0.779.
The EPA or DEMETRA models in the VEGA software gave a result not reliable in both cases because the predicted compound was outside the applicability domain of the model (global AD index = 0.7, and 0.65, respectively).
General follow-up procedure: Overall, there is strong evidence that 1,5-dinitronapthalene is acutely toxic to daphnids and according to the CLP criteria, this substance should be classified as Chronic Toxic category 3 (for crustacea). - Executive summary:
Daphnia acute toxicity model in ECOSAR predicted that 1,5-dinitronapthalene has an EC50 (48h) of 20.77 mg/L. A comparative result of 7.64 mg/L was obtained with good confidence from the trend-analyses performed in the OECD Toolbox (version 4.1). The primary grouping selected was “Aquatic toxicity classification by ECOSAR” and the subsequent sub-categorisation based on “Chemical elements”, structure similarity” and US-EPA New Chemical Categories”.
The VEGA analysis obtained in the EPA and DEMETRA models were excluded from the evaluation because the results were not reliable.
Assessment of the quality of predictions: The ECOSAR model gave an effect level for Daphnia magna that was inside the water solubility values of 1,5-dinitronapthalene. The analyses performed in both ECOSAR software (version 1.11) or in the Danish QSAR database gave the same result and equally valid predictions which were considered acceptable for the proposes of regulatory classification. Further trend-analyses performed in the OECD Toolbox with the endpoint “Acute Toxicity LC50(48h) Daphnia magna”, estimated a valid EC50 obtained from N=20 point data with an R2 of 0.779.
The EPA or DEMETRA models in the VEGA software gave a result not reliable in both cases because the predicted compound was outside the applicability domain of the model (global AD index = 0.7, and 0.65, respectively).
General follow-up procedure: Overall, there is strong evidence that 1,5-dinitronapthalene is acutely toxic to daphnids and according to the CLP criteria, this substance should be classified as Chronic Toxic category 3 (for crustacea).
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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