Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 October and 31 October 2001
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2001
Report date:
2002

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Principles of method if other than guideline:
Information on aqueous solubility of ZK 232104 was to be obtained as a contribution to the Schering project “Ecotoxicological Evaluation of Starting Materials, Intermediates and Drug Substances”. The project is part of the “Freiwillige Selbstverpflichtung der deutschen chemischen Industrie für die Erfassung und Bewertung von Stoffen” (voluntary self commitment of the German chemical industry to catalogue and evaluate chemicals) as promoted by the VCI (Verband der Chemischen Industrie). The guidance provided by the VCI calls for valid data with respect to the aim of the project, namely to gain of information on the behavior or the persistence and fate of such compounds in the environment. Regarding water solubility, screening type methods yielding “pretest quality”data are acceptable. Below a limit of 0.1 g/l no further differentiation of data is necessary.

(cf.: VCI, Anleitung zur Umsetzung der freiwilligen Selbstverpflichtung der deutschen Industrie zur Erfassung und Bewertung von Stoffen (insbesondere Zwischenprodukte) für die Verbesserung der Aussagefähigkeit, April 1998).
GLP compliance:
not specified
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium 3-amino-2,4,6-triiodobernzoate
EC Number:
614-015-0
Cas Number:
67031-56-5
Molecular formula:
C7-H3-I3-N-O2.Na
IUPAC Name:
Sodium 3-amino-2,4,6-triiodobernzoate
Test material form:
solid: bulk
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: WBF, Bergkamen, Schering AG, Batch number: 60707022

Results and discussion

Water solubilityopen allclose all
Key result
Water solubility:
ca. 61 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
0.54 g/L
Incubation duration:
12 d
Temp.:
20 °C
pH:
ca. 7.15
Key result
Water solubility:
ca. 61 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
0.67 g/L
Incubation duration:
12 d
Temp.:
20 °C
pH:
ca. 7.15

Any other information on results incl. tables

After a saturation time of 12 days the supernatant solutions of two samples were analysed by HPLC giving the following results:

 

sample 1: S = 0.54 g/l

sample 2: S = 0.67 g/l

 

Averaging the results of the two samples gives a mean solubility of ZK 232104 in buffer (pH = 7) at 20° C.

 

S20 = 61 g/l (pH = 7.15)

Applicant's summary and conclusion

Conclusions:
The mean measured water solubility of the test substance by HPLC was S= 61 g/L (pH = 7.15).
Executive summary:

The water solubility of ZK 232104 in buffer solution (pH = 7) was determined at 20°C using the flask method to be S20= 61 g/L (pH = 7.15). Therefore, ZK 232104 is to be considered as freely soluble in water.