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EC number: 806-798-4 | CAS number: 1262985-23-8
- 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:
- 1 (reliable without restriction)
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-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
- EC Number:
- 806-798-4
- Cas Number:
- 1262985-23-8
- Molecular formula:
- C30 H20 Cl3 F2 N3 O4 S
- IUPAC Name:
- N-{3-[5-(4-chlorophenyl)-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: >98%
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 0.231 mg/L
- Temp.:
- 20 °C
- pH:
- >= 5.1 - <= 7.1
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
0.232 mg/L after 48 h (i.e. 24 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 5.4
0.241 mg/L after 72 h (i.e. 48 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 5.5
0.642 mg/L after 96 h (i.e. 72 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 5.5
Since the results were increasing, a confirmation test with longer incubation times and more test vessels was performed.
2nd test series:
0.031 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
0.330 mg/L after 72 h (i.e. 48 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 5.4
0.328 mg/L after 96 h (i.e. 72 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.2
0.055 mg/L after 120 h (i.e. 96 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 5.8
0.108 mg/L after 144 h (i.e. 120 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.6
0.178 mg/L after 168 h (i.e. 144 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.3
The values were well below a water solubility of 1 mg/L. However, due to the observed variations a subsequent 3rd test series was performed.
3rd test series
<0.05 mg/L after 48 h (i.e. 24 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C) pH 6.3
0.129 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
0.110 mg/L after 96 h (i.e. 72 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 7.1
0.078 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
0.032 mg/L after 240 h (i.e. 216 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 7.1
3.30 mg/L after 384 h (i.e. 360 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 7.1
The last determined concentration was much higher than the preceding five determinations. The solution was not clear indicating that very fine particles could not be retained by the filter. Therefore, a 4th test series was performed to confirm that the water solubility is well below 1 mg/L.
4th test series
0.157 mg/L after 48 h (i.e. 24 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C) pH 6.7
0.231 mg/L after 72 h (i.e. 48 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.7
0.461 mg/L after 96 h (i.e. 72 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.6
0.284 mg/L after 168 h (i.e. 144 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 5.1
0.115 mg/L after 216 h (i.e. 192 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.6
0.139 mg/L after 240 h (i.e. 216 h at 30 ± 0.5 °C and 24 h at 20 ± 0.5 °C), pH 6.8
Based on all six determinations of the 4th test series the water solubility of the test substance was calculated to be 0.231 mg/L (mean of six replicates).
This value essentially confirms the results of the preceding three test series.
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 0.231 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: Since the first test series showed increasing results and so a second test with longer incubation times was performed. The 2nd test series values were below a water solubility of 0.231 mg/L. Due to the observed variations a 3rd test series was conducted. The last determination in the 3rd test series was much higher than the preceding 5 determinations and so a 4th test series was conducted.
Conculsion: Based on the measured concentrations in the 4th test series, the water solubility was determined to be 0.231 mg/L at 20 +/- 0.5 °C.
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