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EC number: 226-009-1 | CAS number: 5216-25-1
- 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:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 981
- Report date:
- 1981
Materials and methods
- Principles of method if other than guideline:
- HPLC measurement
- GLP compliance:
- no
Test material
- Reference substance name:
- α,α,α,4-tetrachlorotoluene
- EC Number:
- 226-009-1
- EC Name:
- α,α,α,4-tetrachlorotoluene
- Cas Number:
- 5216-25-1
- Molecular formula:
- C7H4Cl4
- IUPAC Name:
- 1-chloro-4-(trichloromethyl)benzene
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Estimation method (if used):
- Using the chromatograms obtained with HPLC
Duration of testopen allclose all
- Temp.:
- 0 °C
- Initial conc. measured:
- 100 mg/L
- Temp.:
- 25 °C
- Initial conc. measured:
- 100 mg/L
Results and discussion
- Transformation products:
- yes
Identity of transformation products
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- 4-chlorobenzoic acid
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 200-805-9]
- CAS number:
- 74-11-3
- Identity:
- Benzoic acid, 4-chloro-
- Molecular formula:
- C7H5ClO2
- Molecular weight:
- 156.566
- SMILES notation:
- OC(=O)c1ccc(Cl)cc1
- InChl:
- InChI=1/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
Dissipation DT50 of parent compoundopen allclose all
- Temp.:
- 0 °C
- Hydrolysis rate constant:
- 0.02 min-1
- DT50:
- 38 min
- Remarks on result:
- other: half-life value were calculated based on T/3 and T/3 equals three half-lifes (i.e. reduction by 87.5% of the test substance)
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.41 min-1
- DT50:
- 1.7 min
- Remarks on result:
- other: half-life value were calculated based on T/3 and T/3 equals three half-lifes (i.e. reduction by 87.5% of the test substance)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The authors tested the hydrolysis of 4-chloro-benzotrichloride using high performance liquid chromatography at 0°C and 25°C. In the conditions tested the half-life values were 38 min and 1.7 min at respectively 0°C and 25°C. Using the formula t1/2 = ln 2 / (kH20), the hydrolysis rate constants calculated were 0.02 min-1 and 0.41 min-1 at respectively 0°C and 25°C.
- Executive summary:
The authors tested the hydrolysis of 4-chloro-benzotrichloride (CAS n° 5216-25-1) using high performance liquid chromatography at 0°C and 25°C analysis. Initial concentration of the test substance was 100 ppm and hydrolysis reaction was monitored till >95% of the test substance was consumed. For determining the half-life value T/3 (i.e. three half lifes) was used which represents the time required to reduce the test substance by 87.5%. This reduction was quantified by the peaks seen in the chromatograms.
Under the test conditions the half-life values were 38 min and 1.7 min at respectively 0°C and 25°C. Using the formula t1/2 = ln 2 / (kH20), the hydrolysis rate constants calculated were 0.02 min-1 and 0.41 min-1 at respectively 0°C and 25°C.
The pH of the test at the start and during the test were not provided. pH at the start can be assumed to be around 7 for deionized water. During hydrolysis of 4 -chlorbenzotrichloride, pH decreases without buffer. As the reaction rate is depending on the concentration of nucleophiles (in this case OH-), the rate of hydrolysis is decreasing with decreasing pH after the reaction has started. The test system has therefore measured the “worst case” hydrolysis rate regarding the influence of pH (or regarding the availability of nucleophiles in environmental conditions).
In addition, the initial concentration was measured as dissolved to acetonitrile, which has probably dissolved the test substance completely, whereas in the test vials the reaction rate was regulated by the presence of phases (dissolution/mixing and hydrolysis). Hence, the reported half-lives do not represent the actual hydrolysis half-life in water, but rather an apparent rate of disappearance which is influenced both by hydrolysis and dissolution in the test solution and potentially in the analysis equipment. However, the whole study was sufficiently described and based on godd principles.
GLP standards are not specified. As the study sufficiently describes the materials and methods used, the study can be considered as reliable with restrictions as it is well documented, meets generally accepted scientific principles and is acceptable for assessment (Klimisch 2e study).
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