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Diss Factsheets
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EC number: 248-502-0 | CAS number: 27503-81-7
- 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
Long-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2021
- 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
- Justification for type of information:
- For detailed description of the model and its applicability domain, see attached QMRF and QPRF document
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSAR R.6
- Principles of method if other than guideline:
- Calculation of Long-Term toxicity in fish. Software used: ECOSAR 2.0 for chemical class "Pyrroles/Diazoles"
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: OS(=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3
- Analytical monitoring:
- not required
- Test organisms (species):
- other: fish
- Water media type:
- freshwater
- Total exposure duration:
- 30 d
- Remarks on exposure duration:
- chronic exposure
- Key result
- Duration:
- 30 d
- Effect conc.:
- 65.22 mg/L
- Remarks on result:
- ChV (chronic value, QSAR)
- Remarks:
- The substance is within the applicability domain of the model. ECOSAR class "Pyrroles/Diazoles".
- Validity criteria fulfilled:
- yes
- Conclusions:
- Using ECOSAR v2.0 the long-term toxicity ChV value for fish was calculated to be 65.22 mg/L. The substance is within the applicability domain of the model.
- Executive summary:
The long-term toxicity in fish was calculated using ECOSAR v2.0 from US Environmental Protection Agency.
The adequacy of a prediction depends on the following conditions:
a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;
b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;
c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;
d) the (Q)SAR model is relevant for the regulatory purpose.
For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.
Description of the prediction Model
The prediction model was descriped using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file.
Assessment of estimation domain
The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.
Reference
Organism | Duration | Endpoint | Concentration (mg/L) | Max Log Kow | Flags |
Fish | 96h | LC50 | 353153.06 | 5 | Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported. |
Daphnid | 48h | LC50 | 20542.78 | 5 | Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported. |
Green Algae | 96h | EC50 | 496.72 | 6.4 | Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported. |
Fish |
| ChV | 65.22 | 8 |
|
Daphnid |
| ChV | 350.83 | 8 | Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported. |
Green Algae |
| ChV | 170.19 | 8 | Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported. |
Mysid (SW) | 96h | LC50 | 1768.02 | 5 | Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported. |
Description of key information
According to Annex XI, paragraph 1.3 results obtained from valid QSAR models may be used instead of testing. A valid QSAR calculation is available for this endpoint showing that the substance is not chronic toxic to fish (ChV = 65.22 mg/L).
Based on the results of the QSAR calculation for the long-term toxicity to fish, the information from the short-term aquatic toxicity tests with fish, daphnia and algae and the information from the chronic algae and daphnia tests - it can be shown that the substance is not aquatic toxic. Thus, to avoid unnecessary testing on vertebrate animals no additional test on long-term toxicity to fish is needed to be able to conclude on the non-toxicity of the substance for aquatic organisms.
Furthermore, this is supported by the good solubility in water (109 mg/L) and the low bioaccumulation potential (log Kow = -1.42).
Key value for chemical safety assessment
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.