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EC number: 257-913-4 | CAS number: 52434-90-9
- 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

Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Remarks:
- Validated QSAR model
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- The OECD QSAR Toolbox is a freely available computational tool developed by the Laboratory of Mathematical Chemistry (LMC) of “Prof. Dr. As. Zlatarov” University (Bulgaria) that can be used for regulatory purposes.
Data source
Reference
- Reference Type:
- other: OECD QSAR Toolbox (v4.5 SP1), prediction report
- Title:
- OECD QSAR Toolbox (v4.5), Automated Workflow Prediction Report
- Author:
- Developed by the Laboratory of Mathematical Chemistry (LMC) of “Prof. Dr. As. Zlatarov” University (Bulgaria)
- Year:
- 2 022
- Bibliographic source:
- Laboratory of Mathematical Chemistry (LMC) of “Prof. Dr. As. Zlatarov” University (Bulgaria). https://qsartoolbox.org/
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
Test material
- Reference substance name:
- 1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- EC Number:
- 257-913-4
- EC Name:
- 1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- Cas Number:
- 52434-90-9
- Molecular formula:
- C12H15Br6N3O3
- IUPAC Name:
- tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione
- Reference substance name:
- unknown impurities
- IUPAC Name:
- unknown impurities
- Test material form:
- solid: particulate/powder
Constituent 1
impurity 1
Results and discussion
In vivo (non-LLNA)
Results
- Remarks on result:
- positive indication of skin sensitisation
- Remarks:
- The automated workflow for skin sensitisation potential prediction implemented in the OECD QSAR Toolbox is based on LLNA and GPMT experimental data, and qualitatively predicts these endpoints. Further information on results is provided in section "Any other information on results incl. tables".
Any other information on results incl. tables
The automated workflow for skin sensitisation potential prediction implemented in the OECD QSAR Toolbox is based on experimental EC3 data from LLNA (Local Lymph Node Assay) and from skin sensitization data from GPMT (Guinea Pig Maximization Test) assays. The model qualitatively predicts skin sensitisation in vivo endpoint according to different profiling criteria.
In the present case, protein binding structural alerts for skin sensitization by OASIS (alkyl halides) are detected in the target molecule AP 729. Further details on the prediction and on the category members can be found in the attached QPRF and data matrix.
The substance is predicted to have the potential to cause skin sensitising effects.
Applicant's summary and conclusion
- Interpretation of results:
- Category 1A (indication of significant skin sensitising potential) based on GHS criteria
- Conclusions:
- According to the automated workflow for skin sensitisation potential prediction implemented in the OECD QSAR Toolbox, the substance is predicted to have the potential to cause skin sensitising effects.
- Executive summary:
The automated workflow for skin sensitisation potential prediction implemented in the OECD QSAR Toolbox is based on experimental EC3 data from LLNA (Local Lymph Node Assay) and from skin sensitization data from GPMT (Guinea Pig Maximization Test) assays.
Protein binding structural alerts for skin sensitization are detected in the target molecule AP 729.
The substance is therefore predicted to have the potential to cause skin sensitising effects.
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