Registration Dossier
Registration Dossier
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EC number: 481-150-8 | CAS number: 500011-86-9
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well documented, followed GLP and OECD Guideline.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 006
- Report date:
- 2006
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- Remarks:
- The study was conducted according to the guideline in effect at time of study conduct.
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- Remarks:
- The study was conducted according to the guideline in effect at time of study conduct.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other:
Test material
- Reference substance name:
- DBC80
- IUPAC Name:
- DBC80
- Reference substance name:
- -
- EC Number:
- 481-150-8
- EC Name:
- -
- Cas Number:
- 500011-86-9
- Molecular formula:
- C9H5BrClN3O2
- IUPAC Name:
- 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
- Reference substance name:
- 1H-Pyrazole-5-Carboxylic Acid, 3-Bromo-1-(3-Chloro-2-Pyridinyl)-
- IUPAC Name:
- 1H-Pyrazole-5-Carboxylic Acid, 3-Bromo-1-(3-Chloro-2-Pyridinyl)-
- Details on test material:
- - Name of test material (as cited in study report): IN-DBC80
- Physical state: Tan powder
- Analytical purity: 96.7%
- Lot/batch No.: 008
- Expiration date of the lot/batch: July 22, 2008
- Stability under test conditions: Stable
- Storage condition of test material: In the dark at room temperature.
- Other: Source-E.I. DuPont de Nemours and Company
Constituent 1
Constituent 2
Constituent 3
- Radiolabelling:
- no
Study design
- Test temperature:
- 30° Celcius
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Shimadzu HPLC with UV detector and CBM 101 integrator using Class GC software.
- Type, material and dimension of analytical (guard) column: Intersil ODS column, consisting of stationary phase with polar and non-polar sites.
- Detection system: UV
MOBILE PHASES
- Type: Reverse-phase
- pH: 3.0
- Solutes for dissolving test and reference substances: Acetonitrile
DETERMINATION OF DEAD TIME
- Method: By inert substances which are not retained by the column.
REFERENCE SUBSTANCES
- Identity: 2-nitrobenzamide, Aniline, Acetanilide, Naphthalene, Diclofopmethyl, and DDT.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10 uL
- Quantity of reference substances: 10 uL
REPETITIONS
- Number of determinations: 2
Batch equilibrium or other method
- Computational methods:
- - Adsorption coefficient per organic carbon (Koc): Based on linear regression of log Koc values and retention times of the calibration standards.
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- 23 865
- Remarks on result:
- other: ± 1023
- Type:
- log Koc
- Value:
- 4.38
Results: HPLC method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: 2.8-8.6 minutes, depending on substance.
- Average retention data for test substance: 6.3 minutes
- Details of fitted regression line (log k' vs. log Koc): Log Koc= 3.6176(log k')+ 3.5996. Using this regression, log Koc value of IN-DBC80 was calculated and determined to be 4.38 allowing for the adsorption coefficient to be determined as 23856 ± 1023.
Any other information on results incl. tables
Due to the acidic nature of IN-DBC80 (pKa<3), an acidic medium was used to provide a worst case estimate of the Koc.
Applicant's summary and conclusion
- Conclusions:
- The estimated adsorbtion coefficient of IN-DBC80 using HPLC is 23865 ± 1023. (Log Koc. = 4.38).
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