Registration Dossier
Registration Dossier
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EC number: 602-890-1 | CAS number: 122731-58-2
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2001-03-09
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 001
- Report date:
- 2001
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Version / remarks:
- 1981 (revised version adopted 1995)
- Deviations:
- yes
- Remarks:
- Determination was conducted in aqueous solution containing 20 % acetonitrile because of solubility reasons
- GLP compliance:
- not specified
Test material
- Reference substance name:
- rac-N-(2,3-Dihydroxypropyl)-5-nitroisophthalamic acid
- EC Number:
- 602-890-1
- Cas Number:
- 122731-58-2
- Molecular formula:
- C11 H12 N2 O7
- IUPAC Name:
- rac-N-(2,3-Dihydroxypropyl)-5-nitroisophthalamic acid
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constant
- No.:
- #1
- pKa:
- 3.5
- Temp.:
- 25 °C
- Remarks on result:
- other: Water containing 20 vol-% acetonitrile
Applicant's summary and conclusion
- Executive summary:
The acid dissociation constant of ZK 39166 was determined with a modified photometric method in aqueous solution containing 20 % by Vol. CH3CN. The following pKa-value was obtained (with 95 % confidence interval):
pKa (20% CH3CN) = 3.5 ± 0.1
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