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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
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 – 22 May 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 2000
- GLP compliance:
- yes
- Remarks:
- The test was performed in compliance with the requirements of the Principles of Good Laboratory Practices (GB/T 22278-2008).
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
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: Samples were taken at day 0, 1, 2, 3, 4 and 5.
- Sampling method: At each sampling date 10 mL water sample was taken. - Buffers:
- - pH 4: 0.400 mL 0.1 mol/L sodium hydroxide solution and 50.0 mL 0.1 mol/L potassium hydrogen phthalate solution were placed in a 100 mL volumetric flask. Deionised water (without CO2) was used to dilute to 100 mL.
- pH 7: 41.3 mL 0.0667 mol/L potassium dihydrogen phosphate solution was placed in a 100 mL volumetric flask. 0.0667 mol/L disodium hydrogen phosphate solution was used to dilute to 100 mL.
- pH 9: 21.3 mL 0.1 mol/L sodium hydroxide solution and 50 mL 0.1 mol/L boric acid were placed in a 100 mL volumetric flask. 0.1 mol/L potassium chloride was used to dilute to 100 mL. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: Test substance solutions at different pH values were each separately loaded into a series of six 10 mL test tubes and placed in a biochemical culture box.
- Sterilisation method: Prior to testing, all buffer solutions and test utensils were sterilised for 20 minutes at 120 °C under 10^5 Pa conditions.
- Lighting: Continuous darkness
- Measures to exclude oxygen: Prior to adding the test substance, nitrogen gas was used to aerate the buffer solution for 5 minutes. Test tubes were sealed.
TEST MEDIUM
- Volume used/treatment: The test solutions (100 mL) of different pH values were each separately loaded into six 10 mL test tubes
- Kind and purity of water: Deionised water (Watsons, China)
- Preparation of test medium:
Test solution I (369 mg/L): 0.0372 g test substance was precisely weighed, and pH = 4 buffer solution was used to dissolve this and dilute it to 100 mL, yielding a test substance concentration 369 mg/L.
Test solution II (367 mg/L): 0.0370 g test substance was precisely weighed, and pH = 7 buffer solution was used to dissolve this and to dilute it to 100 mL, yielding a test substance concentration 367 mg/L.
Test solution III (372 mg/L): 0.0375 g test substance was precisely weighed, and pH = 9 buffer solution was used to dissolve this and dilute it to 100 mL, yielding a test substance concentration 372 mg/L.
Duration of testopen allclose all
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 369 mg/L
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 363 mg/L
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 370 mg/L
- Number of replicates:
- 6
- Positive controls:
- no
- Negative controls:
- no
Results and discussion
- Preliminary study:
- The results revealed that at day 0 the concentrations of the test substance in buffer solutions with a pH of 4.00, 7.00, and 9.00 were 369, 363, and 370 mg/L respectively; at day 5 the concentrations were 344, 343, and 350 mg/L respectively; hydrolysis rates were all less than 10%.
- Transformation products:
- not measured
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.014 d-1
- DT50:
- 49.4 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.011 d-1
- DT50:
- 61.1 d
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.011 d-1
- DT50:
- 62.3 d
- Type:
- (pseudo-)first order (= half-life)
Any other information on results incl. tables
Table 1: Test Substance Hydrolysis Test Results (50 ± 0.5) °C
Time (d) |
Measured concentration (mg/L) |
||
pH 4.00 |
pH 7.00 |
pH 9.00 |
|
0 |
369 |
363 |
370 |
1 |
350 |
339 |
361 |
2 |
362 |
355 |
342 |
3 |
347 |
339 |
349 |
4 |
350 |
346 |
341 |
5 |
344 |
343 |
350 |
Hydrolysis rate H5 (%) |
6.78 |
5.51 |
5.41 |
Hydrolysis rate constant k |
0.0140 |
0.0113 |
0.0111 |
Half-life (t1/2, d) |
49.4 |
61.1 |
62.3 |
Hydrolysis rate Ht (%) |
Hydrolysis rate Ht (%) = ((c0 – ct)/c0) * 100% C0: initial concentration at 0 d (mg/L) Ct: concentration at t d (mg/L) |
||
Reaction rate constant k |
Reaction rate constant k was calculated based on the following formula: k = 2.303/t lg(C0/Ct) In which: Ct: measured concentration at t d, mg/L; C0: measured concentration at 0 d, mg/L; t: number of days, d. |
||
Half-life (t1/2, d) |
t1/2 = 0.693/k |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
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