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EC number: 450-650-8 | CAS number: 51762-67-5
- 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
- Study period:
- Study Test Phase 2013-10-28 to 2014-01-06. Study report complete 2014-05-23.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Meets the criteria for classification as Reliable without restriction according to Klimisch et al (1997).
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2013
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- -
- EC Number:
- 450-650-8
- EC Name:
- -
- Cas Number:
- 51762-67-5
- Molecular formula:
- C8H3N3O2
- IUPAC Name:
- 3-nitrobenzene-1,2-dicarbonitrile
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 0.3
- Temp.:
- 25 °C
Any other information on results incl. tables
The standards used for the quantification of the Test Item in the filtrates showed satisfactory agreement through the run and between them for both sets of data. The % RSD of the area of 5 injections of Standard 1A was within the 5% acceptance criteria. The % RSD of the retention time of the 5 injections of Standard 1 A was also within the 1% acceptance criteria, therefore confirming the suitability of the method.
No peaks at or around the retention time of the Test Item were detected in the blanks, therefore the selectivity of the method was satisfactory.
The levels of the Test Item in the first dilution of the filtrates, (a), was outside of the calibration range, therefore these results were not acceptable for the quantification of the Test Item.
The results obtained for the second dilution of the filtrate, (b), were within the calibration range, therefore these results were used for the quantification of the Test Item.
Variability in the octanol solubility results were observed; therefore the calculated Log P was determined as follows for each individual test:
Log P = Log Concentration in octanol phase/ Concentration in water phase
For the concentration in water phase, the mean result from the water solubility test was used for the calculations, 200 mg/1.
Therefore:
Calculated Log P for Test 1 = 0.21 at 25.0°C ± 1 ºC
Calculated Log P for Test 2 = 0.36 at 25.0°C ± 1 ºC
Mean calculated Log P = 0.3 at 25.0°C ± 1 ºC
The individual calculated Log P are within ± 0.3 log units of the average calculated Log P, therefore the results are satisfactory.
Applicant's summary and conclusion
- Conclusions:
- The calculated Log P of the test material was determined to be 0.3 at 25.0 ºC +/- 1ºC.
- Executive summary:
Introduction
This study was undertaken to determine the partition coefficient of the test material. The study was designed to be compatible with OECD Guideline 107.
Results & Conclusions
The calculated Log P of the test material was determined to be 0.3 at 25.0 ºC +/- 1ºC.
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