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EC number: 212-298-1 | CAS number: 778-94-9
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes
- Remarks:
- The test was performed in compliance with the requirements of the Principles of Good Laboratory Practices (GB/T 22278-2008).
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-nitro-4-(trifluoromethyl)benzonitrile
- EC Number:
- 212-298-1
- EC Name:
- 2-nitro-4-(trifluoromethyl)benzonitrile
- Cas Number:
- 778-94-9
- Molecular formula:
- C8H3F3N2O2
- IUPAC Name:
- 2-nitro-4-(trifluoromethyl)benzonitrile
Constituent 1
Study design
- Analytical method:
- gas chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 3.14
- Temp.:
- 25 °C
- Remarks on result:
- other: pH is not available
- Type:
- log Pow
- Partition coefficient:
- 1.49
- Temp.:
- 25 °C
- Remarks on result:
- other: pH is not available
Any other information on results incl. tables
Test substance measurement method
(1) Specificity
Under the above-described GC instrument conditions, the ethyl acetate blank sample was injected, and no interference peaks appeared within the test substance retention time; one chromatographic peak appeared at 5.585 minutes for the test substance standard solution (20.0 mg/L).
(2) Precision
Sample injection was performed six times using 2.00 mg/L standard solution, relative standard deviation (RSD) for the peak area was 3.19 %.
(3) Working curve
Under the above-described GC-FID instrument conditions, the measured concentrations of the samples injected were 0.10, 0.50, 1.00, 2.00, 10.0, and 20.0 mg/L. The test substance standard solution chromatogram peak area and the corresponding concentration were subjected to linear fitting, yielding the working curve shown in Figure 1. The regression equation was: y = 558.15x + 34.054, and the correlation coefficient R2 was 1, where y is peak area (uV*S), and x is concentration (mg/L). The results indicated that, within the 0.10-20.0 mg/L concentration range, linearity was good.
(4) Recovery rate
Water phase: 0.0500 mL standard stock solution V was aspirated and diluted with test-use water to 10 mL, yielding the spike water sample with a concentration of 5.00 mg/L, three parallels in total. Taking 10 mL of the spike water sample, 10 mL ethyl acetate was used for extraction twice. The extraction liquids were combined and diluted to 10 mL and filtered through a 0.22-μm organic membrane. The initial 1 mL of filtrate being discarded, 1.00 mL filtrate was then collected and used for GC-FID analysis.
N-octanol phase: 2.00 mL standard stock solution 1 was aspirated and diluted with n-octanol to 10 mL, yielding the spike water sample with a concentration of 200 mg/L, three parallels in total. Taking 0.500 mL of the spiked solution, ethyl acetate was added to dilute to 10 mL and filtered through a 0.22-μm membrane. The initial 1 mL of filtrate being discarded, the filtrate was collected and GC-FID analysis used to measure test substance concentration.
The results revealed that when the spike concentration of the test substance in water phase was 5.00 mg/L, mean recovery rate was 92.0% and relative standard deviation was 1.06%. When the spiked concentration of the test substance in n-octanol phase was 200 mg/L, recovery rate was 82.7% and relative standard deviation was 1.31%.
(5) Instrument limit of detection (LOD) and instrument limit of quantification (LOQ)
The instrument’s lowest limit of detection (LOD) calculated using 3X S/N was 0.0100 mg/L and its lowest limit of quantification (LOQ) calculated using 10X S/N was 0.0300 mg/L.
Test substance concentration analysis results
The results revealed that Pow mean values of test substance concentrations in the test system were 27.8, 36.4, and 30.1, mean Pow was 31.4.
Conclusions
Under 25 °C conditions, the test substance’s Pow was 31.4 (27.5-36.7) and the log Pow was 1.49 (1.44-1.56).
Applicant's summary and conclusion
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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