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EC number: 806-756-5 | CAS number: 1262985-24-9
- 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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2010-02-08 to 2010-04-30
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study done according to the respective guideline
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- The column elution method should have been used
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- The column elution method should have been used
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- N-{3-[5-bromo-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
- EC Number:
- 806-756-5
- Cas Number:
- 1262985-24-9
- Molecular formula:
- C24 H16 Br Cl2 F2 N3 O4 S
- IUPAC Name:
- N-{3-[5-bromo-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
- Test material form:
- not specified
- Details on test material:
- Purity: >99%
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 0.57 mg/L
- Incubation duration:
- >= 48 - <= 240 h
- Temp.:
- 20 °C
- pH:
- >= 5.5 - <= 7.3
Any other information on results incl. tables
The initially added amount of test substance was 1 g per litre deionised water. The measured concentrations were:
lst test series
0.776 mg/L after 48 h (i.e. 24 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 5.5
0.1 64 mg/L after 72 h (i.e. 48 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.3
0.096 mg/L after 96 h (i.e. 72 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 5.7
Since the results were decreasing, a confirmation test with longer incubation times and more test vessels was performed.
2nd test series:
1.42 mg/L after 48 h (i.e. 24 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C) pH 7.0
0.584 mg/L after 72 h (i.e. 48 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.9
0.745 mg/L after 96 h (i.e. 72 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.8
0.216 mg/L after 192 h (i.e. 168 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.9
0.320 mg/L after 240 h (i.e. 216 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 7.3
0.932 mg/L after 384 h (i.e. 360 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C3), pH 6.9
Based on the 5 determinations the water solubility of the test substance was calculated to be 0.559 mg/L (mean of six replicates).
3rd test series
0.923 mg/L after 48 h (i.e. 24 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C) pH 6.8
0.098 mg/L after 72 h (i.e. 48 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.6
1.36 mg/L after 96 h (i.e. 72 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.5
1.29 mg/L after 168 h (i.e. 144 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.2
0.395 mg/L after 216 h (i.e. 192 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.3
0.744 mg/L after 240 h (i.e. 216 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.6
The mean value of the last two determinations was 0.570 mg/L. Therefore, the results of the 2nd test series (mean value of 0.559 mg/L) was essentially confirmed.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Based on the measured concentrations, the water solubility was determined to be 0.570 mg/L at 20 +/- 0.5 °C. - Executive summary:
Method: The water solubility of the test substance was investigated by dissolving the test substance (1g per L) at 30°C for at least 24 h and equilibration at 20 +/- 0.5°C for again 24 h, both by using a magnetic stirrer. Undissolved test material was separated by filtration (MILLIPORE AP15 glass fibre filter). Subsequently a sample for the chemical analysis was taken. .
Results: The first test series showed decreasing results and so a second test with longer incubation times was performed. The 2nd test series showed similar results as compared to the ones observed in the 1st test series. Since the variation were higher than 15% in the last three determinations, it was decided to calculate the average values of the last 5 determinations of the 2nd test series and perform a 3rd test series as a confirmatory test.
Conculsion: Based on the measured concentrations, the water solubility was determined to be 0.570 mg/L at 20 +/- 0.5 °C.
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