Registration Dossier
Registration Dossier
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EC number: 814-217-0 | CAS number: 353258-35-2
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7370 (Dissociation constants in water)
- Deviations:
- no
- GLP compliance:
- yes
Test material
- Reference substance name:
- 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
- Cas Number:
- 353258-35-2
- Molecular formula:
- C9H4ClF3N2O2
- IUPAC Name:
- 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
1
- Specific details on test material used for the study:
- Test substance: IN-QEK31-011
Batch No.: SG0312574
Purity: 98.2%
Results and discussion
- Dissociating properties:
- yes
Dissociation constant
- No.:
- #1
- pKa:
- 4.55
- Temp.:
- 20 °C
Applicant's summary and conclusion
- Conclusions:
- The mean dissociation constant [pKa] of the test substance in double distilled water was 4.55 ± 0.01 at 20 ± 1°C.
- Executive summary:
The study was conducted using a titration method according to OECD 112 and OPPTS 830.7370 guidelines.
The study was conducted using pure active test substance. The test solution concentration used [50 μg/mL] was well below the water solubility of the test material. Dissociation constant of the test item was determined by titrating a 50 μg/mL solution of test item in double distilled water with a 0.01 M standardized sodium hydroxide solution. The dissociation constant was determined by measuring the change in pH of the test solution after incremental additions of the standardized sodium hydroxide solution.
The mean dissociation constant [pKa] of the test substance in double distilled water was 4.55 ± 0.01 at 20 ± 1°C.
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