Registration Dossier
Registration Dossier
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EC number: 481-150-8 | CAS number: 500011-86-9
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 05/22/2006 - 06/10/2006
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Conducted in accordance with OECD Guideline 112.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 006
- Report date:
- 2006
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Deviations:
- no
- Remarks:
- The study was conducted according to the guideline in effect at time of study conduct.
- GLP compliance:
- yes (incl. QA statement)
Test material
- 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:
- DBC80
- IUPAC Name:
- DBC80
- 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
- Molecular weight: 302.52
- Physical state: Tan colour powder
- Analytical purity: 96.7%
- Lot/batch No.: 008
- Expiration date of the lot/batch: 22nd July, 2008
- Storage condition of test material: Stored in the dark at room temperature.
Constituent 1
Constituent 2
Constituent 3
Results and discussion
- Dissociating properties:
- yes
Dissociation constant
- pKa:
- ca. 2.81
- Temp.:
- 20 °C
- Remarks on result:
- other: The mean dissociation constant of IN-DBC80 was determined to be 2.8 1+/- 0.44
Applicant's summary and conclusion
- Conclusions:
- Dissociation constant for IN-DBC80 was determined to be 2.81+/- 0.44, at 20 deg C +/- 0.5 deg C.
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